CID 3075056

171204-18-5

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O
InChI
InChI=1S/C17H14N2O2/c1-11-6-8-12(9-7-11)18-16-10-14(17(20)21)13-4-2-3-5-15(13)19-16/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKey
INQKTXUBNPGWHY-UHFFFAOYSA-N
Compound name
2-(4-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]+ 279.11281 162.8
[M+Na]+ 301.09475 170.8
[M-H]- 277.09825 168.1
[M+NH4]+ 296.13935 177.3
[M+K]+ 317.06869 165.5
[M+H-H2O]+ 261.10279 154.1
[M+HCOO]- 323.10373 183.6
[M+CH3COO]- 337.11938 174.1
[M+Na-2H]- 299.08020 169.2
[M]+ 278.10498 162.3
[M]- 278.10608 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.