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

13
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 164.2
[M+Na]+ 300.09952 180.5
[M+NH4]+ 295.14412 172.9
[M+K]+ 316.07346 172.1
[M-H]- 276.10302 168.9
[M+Na-2H]- 298.08497 173.3
[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

literature stripe

Patent stripe

patents stripe