CID 3012214

2-(2-cyclohexylquinolin-4-yl)acetic acid

Structural Information

Molecular Formula
C17H19NO2
SMILES
C1CCC(CC1)C2=NC3=CC=CC=C3C(=C2)CC(=O)O
InChI
InChI=1S/C17H19NO2/c19-17(20)11-13-10-16(12-6-2-1-3-7-12)18-15-9-5-4-8-14(13)15/h4-5,8-10,12H,1-3,6-7,11H2,(H,19,20)
InChIKey
QBSJUDRNKGDSOB-UHFFFAOYSA-N
Compound name
2-(2-cyclohexylquinolin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 162.6
[M+Na]+ 292.13079 167.4
[M-H]- 268.13429 166.3
[M+NH4]+ 287.17539 177.3
[M+K]+ 308.10473 162.6
[M+H-H2O]+ 252.13883 154.0
[M+HCOO]- 314.13977 178.1
[M+CH3COO]- 328.15542 172.4
[M+Na-2H]- 290.11624 166.1
[M]+ 269.14102 158.0
[M]- 269.14212 158.0
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

No patent data available for this compound.