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]+ 278.11758 164.1
[M+Na]+ 300.09952 180.8
[M+NH4]+ 295.14412 172.8
[M+K]+ 316.07346 172.6
[M-H]- 276.10302 168.9
[M+Na-2H]- 298.08497 173.0
[M]+ 277.10975 168.1
[M]- 277.11085 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.