PubChemLite - 756526-03-1 (C22H32N2O13)

Structural Information

Molecular Formula

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O

InChI

InChI=1S/C22H32N2O13/c25-17-1-2-18(26)23(17)36-21(29)5-7-31-9-11-33-13-15-35-16-14-34-12-10-32-8-6-22(30)37-24-19(27)3-4-20(24)28/h1-16H2

InChIKey

FTYUGLBWKRXQBD-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]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]+	533.19768	207.4
[M+Na]+	555.17962	207.6
[M-H]-	531.18312	209.6
[M+NH4]+	550.22422	239.9
[M+K]+	571.15356	209.7
[M+H-H2O]+	515.18766	198.9
[M+HCOO]-	577.18860	250.7
[M+CH3COO]-	591.20425	240.3
[M+Na-2H]-	553.16507	202.3
[M]+	532.18985	220.5
[M]-	532.19095	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.19768

207.4

[M+Na]+

555.17962

207.6

[M-H]-

531.18312

209.6

[M+NH4]+

550.22422

239.9

[M+K]+

571.15356

209.7

[M+H-H2O]+

515.18766

198.9

[M+HCOO]-

577.18860

250.7

[M+CH3COO]-

591.20425

240.3

[M+Na-2H]-

553.16507

202.3

[M]+

532.18985

220.5

[M]-

532.19095

220.5

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

756526-03-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe