CID 45051329

3-(2-chloro-3-methoxyphenyl)-n-cyclohexyl-2-propenamide

Structural Information

Molecular Formula
C16H20ClNO2
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)NC2CCCCC2
InChI
InChI=1S/C16H20ClNO2/c1-20-14-9-5-6-12(16(14)17)10-11-15(19)18-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,18,19)/b11-10+
InChIKey
XNWGGAVZLRUIOK-ZHACJKMWSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-cyclohexylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11826 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12554 168.7
[M+Na]+ 316.10748 173.6
[M-H]- 292.11098 174.2
[M+NH4]+ 311.15208 184.5
[M+K]+ 332.08142 168.3
[M+H-H2O]+ 276.11552 161.8
[M+HCOO]- 338.11646 184.4
[M+CH3COO]- 352.13211 201.9
[M+Na-2H]- 314.09293 169.9
[M]+ 293.11771 167.2
[M]- 293.11881 167.2
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.