PubChemLite - 756525-93-6 (C30H47N3O15)

Structural Information

Molecular Formula

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O

InChI

InChI=1S/C30H47N3O15/c34-25(5-8-32-26(35)1-2-27(32)36)31-7-10-41-12-14-43-16-18-45-20-22-47-24-23-46-21-19-44-17-15-42-13-11-40-9-6-30(39)48-33-28(37)3-4-29(33)38/h1-2H,3-24H2,(H,31,34)

InChIKey

MTPWCXBUZLEBDD-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]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]+	690.30798	267.1
[M+Na]+	712.28992	278.9
[M-H]-	688.29342	269.9
[M+NH4]+	707.33452	280.5
[M+K]+	728.26386	266.9
[M+H-H2O]+	672.29796	272.2
[M+HCOO]-	734.29890	285.1
[M+CH3COO]-	748.31455	270.8
[M+Na-2H]-	710.27537	251.4
[M]+	689.30015	269.8
[M]-	689.30125	269.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

690.30798

267.1

[M+Na]+

712.28992

278.9

[M-H]-

688.29342

269.9

[M+NH4]+

707.33452

280.5

[M+K]+

728.26386

266.9

[M+H-H2O]+

672.29796

272.2

[M+HCOO]-

734.29890

285.1

[M+CH3COO]-

748.31455

270.8

[M+Na-2H]-

710.27537

251.4

[M]+

689.30015

269.8

[M]-

689.30125

269.8

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

756525-93-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe