CID 3075057

171204-19-6

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC1=CC(=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)O)C
InChI
InChI=1S/C18H16N2O2/c1-11-7-8-15(12(2)9-11)19-17-10-14(18(21)22)13-5-3-4-6-16(13)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKey
DNOGBKFRTQPPFU-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylanilino)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

292.1212 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 167.8
[M+Na]+ 315.110418 176.2
[M-H]- 291.113924 173.3
[M+NH4]+ 310.155023 182.0
[M+K]+ 331.084358 170.8
[M+H-H2O]+ 275.118460 159.1
[M+HCOO]- 337.119401 188.3
[M+CH3COO]- 351.135051 205.8
[M+Na-2H]- 313.095866 172.9
[M]+ 292.12065142 168.1
[M]- 292.12174858 168.1
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.