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]+ 274.18016 166.6
[M+Na]+ 296.16210 167.8
[M-H]- 272.16560 171.2
[M+NH4]+ 291.20670 181.3
[M+K]+ 312.13604 164.6
[M+H-H2O]+ 256.17014 158.3
[M+HCOO]- 318.17108 185.4
[M+CH3COO]- 332.18673 200.4
[M+Na-2H]- 294.14755 167.9
[M]+ 273.17233 161.7
[M]- 273.17343 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.