CID 3002911

Methyl 2-(2-cyclopentyl-4-quinolyl)acetate

Structural Information

Molecular Formula
C17H19NO2
SMILES
COC(=O)CC1=CC(=NC2=CC=CC=C21)C3CCCC3
InChI
InChI=1S/C17H19NO2/c1-20-17(19)11-13-10-16(12-6-2-3-7-12)18-15-9-5-4-8-14(13)15/h4-5,8-10,12H,2-3,6-7,11H2,1H3
InChIKey
KGQQVAHENWTWCF-UHFFFAOYSA-N
Compound name
methyl 2-(2-cyclopentylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.5
[M+Na]+ 292.13079 169.8
[M-H]- 268.13429 169.2
[M+NH4]+ 287.17539 181.1
[M+K]+ 308.10473 165.9
[M+H-H2O]+ 252.13883 155.4
[M+HCOO]- 314.13977 182.9
[M+CH3COO]- 328.15542 197.5
[M+Na-2H]- 290.11624 165.6
[M]+ 269.14102 162.9
[M]- 269.14212 162.9
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.