CID 703658

N-[2-(1-cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C17H23NO2
SMILES
COC1=CC=C(C=C1)CC(=O)NCCC2=CCCCC2
InChI
InChI=1S/C17H23NO2/c1-20-16-9-7-15(8-10-16)13-17(19)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19)
InChIKey
QIXKSRMRGXDDEH-UHFFFAOYSA-N
Compound name
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

31
Patents

273.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 165.9
[M+Na]+ 296.162098 169.1
[M-H]- 272.165604 171.3
[M+NH4]+ 291.206703 181.3
[M+K]+ 312.136038 165.9
[M+H-H2O]+ 256.170140 157.6
[M+HCOO]- 318.171081 187.1
[M+CH3COO]- 332.186731 201.1
[M+Na-2H]- 294.147546 168.8
[M]+ 273.17233142 164.3
[M]- 273.17342858 164.3
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

patents stripe