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	268.4
[M+Na]+	712.28992	268.8
[M+NH4]+	707.33452	272.3
[M+K]+	728.26386	269.9
[M-H]-	688.29342	265.4
[M+Na-2H]-	710.27537	270.1
[M]+	689.30015	268.6
[M]-	689.30125	268.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

690.30798

268.4

[M+Na]+

712.28992

268.8

[M+NH4]+

707.33452

272.3

[M+K]+

728.26386

269.9

[M-H]-

688.29342

265.4

[M+Na-2H]-

710.27537

270.1

[M]+

689.30015

268.6

[M]-

689.30125

268.6

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