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]+ 293.12848 167.8
[M+Na]+ 315.11042 176.2
[M-H]- 291.11392 173.3
[M+NH4]+ 310.15502 182.0
[M+K]+ 331.08436 170.8
[M+H-H2O]+ 275.11846 159.1
[M+HCOO]- 337.11940 188.3
[M+CH3COO]- 351.13505 205.8
[M+Na-2H]- 313.09587 172.9
[M]+ 292.12065 168.1
[M]- 292.12175 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.