CID 3075054

171204-16-3

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=CC=CC=C1NC2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C17H14N2O2/c1-11-6-2-4-8-14(11)18-16-10-13(17(20)21)12-7-3-5-9-15(12)19-16/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKey
BXWFNZMPQZJWJP-UHFFFAOYSA-N
Compound name
2-(2-methylanilino)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.112806 162.8
[M+Na]+ 301.094748 170.8
[M-H]- 277.098254 168.1
[M+NH4]+ 296.139353 177.3
[M+K]+ 317.068688 165.5
[M+H-H2O]+ 261.102790 154.1
[M+HCOO]- 323.103731 183.6
[M+CH3COO]- 337.119381 174.1
[M+Na-2H]- 299.080196 169.2
[M]+ 278.10498142 162.3
[M]- 278.10607858 162.3
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.