CID 16019071

2-((2-benzoylanilino)carbonyl)benzoic acid

Structural Information

Molecular Formula
C21H15NO4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C21H15NO4/c23-19(14-8-2-1-3-9-14)17-12-6-7-13-18(17)22-20(24)15-10-4-5-11-16(15)21(25)26/h1-13H,(H,22,24)(H,25,26)
InChIKey
OGXJPSXYWISJPN-UHFFFAOYSA-N
Compound name
2-[(2-benzoylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.1001 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10738 179.7
[M+Na]+ 368.08932 184.4
[M-H]- 344.09282 187.9
[M+NH4]+ 363.13392 190.5
[M+K]+ 384.06326 180.1
[M+H-H2O]+ 328.09736 170.2
[M+HCOO]- 390.09830 200.7
[M+CH3COO]- 404.11395 212.0
[M+Na-2H]- 366.07477 181.6
[M]+ 345.09955 178.3
[M]- 345.10065 178.3
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.