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]+ 279.11281 163.8
[M+Na]+ 301.09475 179.0
[M+NH4]+ 296.13935 172.1
[M+K]+ 317.06869 171.2
[M-H]- 277.09825 168.7
[M+Na-2H]- 299.08020 172.8
[M]+ 278.10498 167.4
[M]- 278.10608 167.4
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.