CID 906984

3-(2-oxo-1,2-dihydroquinoline-4-amido)benzoic acid

Structural Information

Molecular Formula
C17H12N2O4
SMILES
C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)NC3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C17H12N2O4/c20-15-9-13(12-6-1-2-7-14(12)19-15)16(21)18-11-5-3-4-10(8-11)17(22)23/h1-9H,(H,18,21)(H,19,20)(H,22,23)
InChIKey
KNOMAJGTMGMTLM-UHFFFAOYSA-N
Compound name
3-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0797 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.086976 167.1
[M+Na]+ 331.068918 174.5
[M-H]- 307.072424 171.2
[M+NH4]+ 326.113523 179.3
[M+K]+ 347.042858 169.4
[M+H-H2O]+ 291.076960 158.6
[M+HCOO]- 353.077901 186.2
[M+CH3COO]- 367.093551 202.7
[M+Na-2H]- 329.054366 172.2
[M]+ 308.07915142 165.6
[M]- 308.08024858 165.6
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.