CID 673712

2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe