CID 204002

Cyclohexanebutyramide, n-benzyl-gamma-oxo-

Structural Information

Molecular Formula
C17H23NO2
SMILES
C1CCC(CC1)C(=O)CCC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C17H23NO2/c19-16(15-9-5-2-6-10-15)11-12-17(20)18-13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,20)
InChIKey
MASKQPSXICNYCA-UHFFFAOYSA-N
Compound name
N-benzyl-4-cyclohexyl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 166.6
[M+Na]+ 296.162098 167.8
[M-H]- 272.165604 171.2
[M+NH4]+ 291.206703 181.3
[M+K]+ 312.136038 164.6
[M+H-H2O]+ 256.170140 158.3
[M+HCOO]- 318.171081 185.4
[M+CH3COO]- 332.186731 200.4
[M+Na-2H]- 294.147546 167.9
[M]+ 273.17233142 161.7
[M]- 273.17342858 161.7
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.