CID 60806

Gadoversetamide

Structural Information

Molecular Formula
C20H37N5O10
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

compound 2d structure
7
Annotation Hits

98
References

2873
Patents

507.25403 Da
Monoisotopic Mass

-9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.26131 235.5
[M+Na]+ 530.24325 248.7
[M+NH4]+ 525.28785 246.6
[M+K]+ 546.21719 244.9
[M-H]- 506.24675 247.8
[M+Na-2H]- 528.22870 245.4
[M]+ 507.25348 241.8
[M]- 507.25458 241.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe