CID 3002919

Methyl 2,4-dicyclopentylquinoline-3-carboxylate

Structural Information

Molecular Formula
C21H25NO2
SMILES
COC(=O)C1=C(C2=CC=CC=C2N=C1C3CCCC3)C4CCCC4
InChI
InChI=1S/C21H25NO2/c1-24-21(23)19-18(14-8-2-3-9-14)16-12-6-7-13-17(16)22-20(19)15-10-4-5-11-15/h6-7,12-15H,2-5,8-11H2,1H3
InChIKey
GFDCRYGKJQCBFO-UHFFFAOYSA-N
Compound name
methyl 2,4-dicyclopentylquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.18854 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 179.9
[M+Na]+ 346.17776 184.3
[M-H]- 322.18126 188.5
[M+NH4]+ 341.22236 196.7
[M+K]+ 362.15170 179.7
[M+H-H2O]+ 306.18580 171.5
[M+HCOO]- 368.18674 197.1
[M+CH3COO]- 382.20239 189.8
[M+Na-2H]- 344.16321 176.4
[M]+ 323.18799 176.5
[M]- 323.18909 176.5
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.