CID 718779

2-{[4-(aminocarbonyl)anilino]carbonyl}benzoic acid

Structural Information

Molecular Formula
C15H12N2O4
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)O
InChI
InChI=1S/C15H12N2O4/c16-13(18)9-5-7-10(8-6-9)17-14(19)11-3-1-2-4-12(11)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)
InChIKey
NFSYYODESQQPSX-UHFFFAOYSA-N
Compound name
2-[(4-carbamoylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

284.0797 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 162.8
[M+Na]+ 307.06892 168.2
[M-H]- 283.07242 167.9
[M+NH4]+ 302.11352 176.2
[M+K]+ 323.04286 165.3
[M+H-H2O]+ 267.07696 154.8
[M+HCOO]- 329.07790 185.1
[M+CH3COO]- 343.09355 202.7
[M+Na-2H]- 305.05437 164.6
[M]+ 284.07915 160.3
[M]- 284.08025 160.3
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

patents stripe