PubChemLite - (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (C31H56N4O16)

Structural Information

Molecular Formula

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]

InChI

InChI=1S/C31H56N4O16/c32-34-33-4-6-40-8-10-42-12-14-44-16-18-46-20-22-48-24-26-50-28-27-49-25-23-47-21-19-45-17-15-43-13-11-41-9-7-39-5-3-31(38)51-35-29(36)1-2-30(35)37/h1-28H2

InChIKey

JSNJRDFOCXNHTB-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	741.37642	291.6
[M+Na]+	763.35836	298.8
[M-H]-	739.36186	293.8
[M+NH4]+	758.40296	305.0
[M+K]+	779.33230	292.0
[M+H-H2O]+	723.36640	286.7
[M+HCOO]-	785.36734	306.3
[M+CH3COO]-	799.38299	278.4
[M+Na-2H]-	761.34381	273.3
[M]+	740.36859	288.6
[M]-	740.36969	288.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

741.37642

291.6

[M+Na]+

763.35836

298.8

[M-H]-

739.36186

293.8

[M+NH4]+

758.40296

305.0

[M+K]+

779.33230

292.0

[M+H-H2O]+

723.36640

286.7

[M+HCOO]-

785.36734

306.3

[M+CH3COO]-

799.38299

278.4

[M+Na-2H]-

761.34381

273.3

[M]+

740.36859

288.6

[M]-

740.36969

288.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe