CID 3075053

171204-15-2

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C16H12N2O2/c19-16(20)13-10-15(17-11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14/h1-10H,(H,17,18)(H,19,20)
InChIKey
MPKDFVOXJKFNDS-UHFFFAOYSA-N
Compound name
2-anilinoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

3.6
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

literature stripe

Patent stripe

No patent data available for this compound.