CID 18073528

6,7-dimethyl-2-phenylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=CC2=C(C=C1C)N=C(C=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO2/c1-11-8-14-15(18(20)21)10-16(13-6-4-3-5-7-13)19-17(14)9-12(11)2/h3-10H,1-2H3,(H,20,21)
InChIKey
KQUUINXPEWKGQO-UHFFFAOYSA-N
Compound name
6,7-dimethyl-2-phenylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1103 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.117576 163.8
[M+Na]+ 300.099518 173.1
[M-H]- 276.103024 169.4
[M+NH4]+ 295.144123 179.1
[M+K]+ 316.073458 167.7
[M+H-H2O]+ 260.107560 155.5
[M+HCOO]- 322.108501 183.3
[M+CH3COO]- 336.124151 175.6
[M+Na-2H]- 298.084966 168.4
[M]+ 277.10975142 164.7
[M]- 277.11084858 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

No patent data available for this compound.