PubChemLite - Versetamide (C20H37N5O10)

Structural Information

Molecular Formula

SMILES

COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H37N5O10/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33)

InChIKey

AXFGWXLCWCNPHP-UHFFFAOYSA-N

Compound name

2-[bis[2-[carboxymethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid

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]+	508.26131	229.9
[M+Na]+	530.24325	243.9
[M-H]-	506.24675	244.5
[M+NH4]+	525.28785	241.6
[M+K]+	546.21719	235.6
[M+H-H2O]+	490.25129	231.3
[M+HCOO]-	552.25223	219.7
[M+CH3COO]-	566.26788	257.2
[M+Na-2H]-	528.22870	221.7
[M]+	507.25348	220.8
[M]-	507.25458	220.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.26131

229.9

[M+Na]+

530.24325

243.9

[M-H]-

506.24675

244.5

[M+NH4]+

525.28785

241.6

[M+K]+

546.21719

235.6

[M+H-H2O]+

490.25129

231.3

[M+HCOO]-

552.25223

219.7

[M+CH3COO]-

566.26788

257.2

[M+Na-2H]-

528.22870

221.7

[M]+

507.25348

220.8

[M]-

507.25458

220.8

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

Versetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe