CID 5216306

2-((4-(4-((2-carboxybenzoyl)amino)benzyl)anilino)carbonyl)benzoic acid

Structural Information

Molecular Formula
C29H22N2O6
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)C(=O)O
InChI
InChI=1S/C29H22N2O6/c32-26(22-5-1-3-7-24(22)28(34)35)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-27(33)23-6-2-4-8-25(23)29(36)37/h1-16H,17H2,(H,30,32)(H,31,33)(H,34,35)(H,36,37)
InChIKey
GRXPCYZAZJNPCM-UHFFFAOYSA-N
Compound name
2-[[4-[[4-[(2-carboxybenzoyl)amino]phenyl]methyl]phenyl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.1478 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.15508 218.8
[M+Na]+ 517.13702 230.8
[M+NH4]+ 512.18162 222.3
[M+K]+ 533.11096 225.1
[M-H]- 493.14052 225.1
[M+Na-2H]- 515.12247 227.5
[M]+ 494.14725 221.9
[M]- 494.14835 221.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.