CID 230602

2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)C
InChI
InChI=1S/C18H15NO2/c1-11-7-8-13(12(2)9-11)17-10-15(18(20)21)14-5-3-4-6-16(14)19-17/h3-10H,1-2H3,(H,20,21)
InChIKey
LQOCMAVPLYTGBG-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

277.1103 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 163.8
[M+Na]+ 300.09952 173.1
[M-H]- 276.10302 169.4
[M+NH4]+ 295.14412 179.1
[M+K]+ 316.07346 167.7
[M+H-H2O]+ 260.10756 155.5
[M+HCOO]- 322.10850 183.3
[M+CH3COO]- 336.12415 175.6
[M+Na-2H]- 298.08497 168.4
[M]+ 277.10975 164.7
[M]- 277.11085 164.7
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

patents stripe