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

3
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

patents stripe