CID 2113303

17401-15-9

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=NC2=CC=CC=C2C(=C1CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO2/c1-12-15(11-17(20)21)18(13-7-3-2-4-8-13)14-9-5-6-10-16(14)19-12/h2-10H,11H2,1H3,(H,20,21)
InChIKey
CLQRMTMJJUSGRK-UHFFFAOYSA-N
Compound name
2-(2-methyl-4-phenylquinolin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
Patents

277.1103 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 163.9
[M+Na]+ 300.09952 172.3
[M-H]- 276.10302 169.0
[M+NH4]+ 295.14412 178.8
[M+K]+ 316.07346 166.8
[M+H-H2O]+ 260.10756 155.3
[M+HCOO]- 322.10850 183.3
[M+CH3COO]- 336.12415 175.3
[M+Na-2H]- 298.08497 169.2
[M]+ 277.10975 164.3
[M]- 277.11085 164.3
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