CID 24212833

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

Structural Information

Molecular Formula
C16H22ClNO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2CCCCC2
InChI
InChI=1S/C16H22ClNO2/c1-20-14-9-5-6-12(16(14)17)10-11-15(19)18-13-7-3-2-4-8-13/h5-6,9,13H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKey
UFKPAWUOCDYEFP-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-cyclohexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1339 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14118 169.5
[M+Na]+ 318.12312 174.0
[M-H]- 294.12662 174.9
[M+NH4]+ 313.16772 185.2
[M+K]+ 334.09706 169.3
[M+H-H2O]+ 278.13116 162.5
[M+HCOO]- 340.13210 185.0
[M+CH3COO]- 354.14775 203.4
[M+Na-2H]- 316.10857 170.7
[M]+ 295.13335 168.8
[M]- 295.13445 168.8
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.