CID 3040440

N-(4-quinolinyl)anthranilic acid

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C16H12N2O2/c19-16(20)12-6-2-4-8-14(12)18-15-9-10-17-13-7-3-1-5-11(13)15/h1-10H,(H,17,18)(H,19,20)
InChIKey
VAYWXCMEIWUYBK-UHFFFAOYSA-N
Compound name
2-(quinolin-4-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

264.08987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 157.7
[M+Na]+ 287.07909 165.2
[M-H]- 263.08259 162.8
[M+NH4]+ 282.12369 172.5
[M+K]+ 303.05303 160.1
[M+H-H2O]+ 247.08713 149.1
[M+HCOO]- 309.08807 178.9
[M+CH3COO]- 323.10372 169.1
[M+Na-2H]- 285.06454 165.5
[M]+ 264.08932 156.4
[M]- 264.09042 156.4
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.