PubChemLite - 756525-99-2 (C22H31N3O11)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H31N3O11/c26-17(5-8-24-18(27)1-2-19(24)28)23-7-10-33-12-14-35-16-15-34-13-11-32-9-6-22(31)36-25-20(29)3-4-21(25)30/h1-2H,3-16H2,(H,23,26)

InChIKey

XSRYGQJQNPJNKZ-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]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]+	514.20314	216.4
[M+Na]+	536.18508	217.4
[M+NH4]+	531.22968	230.8
[M+K]+	552.15902	220.7
[M-H]-	512.18858	211.1
[M+Na-2H]-	534.17053	212.0
[M]+	513.19531	213.6
[M]-	513.19641	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.20314

216.4

[M+Na]+

536.18508

217.4

[M+NH4]+

531.22968

230.8

[M+K]+

552.15902

220.7

[M-H]-

512.18858

211.1

[M+Na-2H]-

534.17053

212.0

[M]+

513.19531

213.6

[M]-

513.19641

213.6

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

756525-99-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe