CID 1011264

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

Structural Information

Molecular Formula
C22H16N2O6
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O)C(=O)O
InChI
InChI=1S/C22H16N2O6/c25-19(13-7-1-3-9-15(13)21(27)28)23-17-11-5-6-12-18(17)24-20(26)14-8-2-4-10-16(14)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKey
DKCKVYZVRRUUQF-UHFFFAOYSA-N
Compound name
2-[[2-[(2-carboxybenzoyl)amino]phenyl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

404.10083 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10811 191.6
[M+Na]+ 427.09005 194.9
[M-H]- 403.09355 198.6
[M+NH4]+ 422.13465 198.8
[M+K]+ 443.06399 191.8
[M+H-H2O]+ 387.09809 181.8
[M+HCOO]- 449.09903 211.3
[M+CH3COO]- 463.11468 223.8
[M+Na-2H]- 425.07550 191.7
[M]+ 404.10028 190.0
[M]- 404.10138 190.0
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

No patent data available for this compound.