CID 24212834

3-(2-chloro-3-methoxyphenyl)-n-cyclopentylpropanamide

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2CCCC2
InChI
InChI=1S/C15H20ClNO2/c1-19-13-8-4-5-11(15(13)16)9-10-14(18)17-12-6-2-3-7-12/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H,17,18)
InChIKey
DJQUITVHHIUXOH-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-cyclopentylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11826 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 166.9
[M+Na]+ 304.10748 172.6
[M-H]- 280.11098 172.8
[M+NH4]+ 299.15208 185.0
[M+K]+ 320.08142 168.0
[M+H-H2O]+ 264.11552 160.4
[M+HCOO]- 326.11646 184.8
[M+CH3COO]- 340.13211 199.9
[M+Na-2H]- 302.09293 167.1
[M]+ 281.11771 167.8
[M]- 281.11881 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.