CID 18873872

2-((2-carboxy(phenyl)anilino)carbonyl)benzoic acid

Structural Information

Molecular Formula
C21H15NO5
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C21H15NO5/c23-19(15-10-4-5-11-16(15)20(24)25)22(14-8-2-1-3-9-14)18-13-7-6-12-17(18)21(26)27/h1-13H,(H,24,25)(H,26,27)
InChIKey
VSUJGGWWSRTWHI-UHFFFAOYSA-N
Compound name
2-[(2-carboxyphenyl)-phenylcarbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.09503 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10231 182.0
[M+Na]+ 384.08425 186.2
[M-H]- 360.08775 190.3
[M+NH4]+ 379.12885 192.0
[M+K]+ 400.05819 183.4
[M+H-H2O]+ 344.09229 172.5
[M+HCOO]- 406.09323 202.2
[M+CH3COO]- 420.10888 215.2
[M+Na-2H]- 382.06970 182.9
[M]+ 361.09448 181.5
[M]- 361.09558 181.5
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.