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]+ 309.08698 167.1
[M+Na]+ 331.06892 174.5
[M-H]- 307.07242 171.2
[M+NH4]+ 326.11352 179.3
[M+K]+ 347.04286 169.4
[M+H-H2O]+ 291.07696 158.6
[M+HCOO]- 353.07790 186.2
[M+CH3COO]- 367.09355 202.7
[M+Na-2H]- 329.05437 172.2
[M]+ 308.07915 165.6
[M]- 308.08025 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.