PubChemLite - 1-maleinimido-3-oxo-7,10,13,16-tetraoxa-4-azanonadecan-19-oic acid succinimidyl ester (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	208.1
[M+Na]+	536.18508	208.8
[M-H]-	512.18858	210.7
[M+NH4]+	531.22968	213.7
[M+K]+	552.15902	209.3
[M+H-H2O]+	496.19312	198.9
[M+HCOO]-	558.19406	226.3
[M+CH3COO]-	572.20971	241.0
[M+Na-2H]-	534.17053	203.4
[M]+	513.19531	218.8
[M]-	513.19641	218.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.20314

208.1

[M+Na]+

536.18508

208.8

[M-H]-

512.18858

210.7

[M+NH4]+

531.22968

213.7

[M+K]+

552.15902

209.3

[M+H-H2O]+

496.19312

198.9

[M+HCOO]-

558.19406

226.3

[M+CH3COO]-

572.20971

241.0

[M+Na-2H]-

534.17053

203.4

[M]+

513.19531

218.8

[M]-

513.19641

218.8

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

1-maleinimido-3-oxo-7,10,13,16-tetraoxa-4-azanonadecan-19-oic acid succinimidyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe