CID 24842548

1-piperidinebutyramide, alpha-1-cyclohexen-1-yl-alpha-phenyl-

Structural Information

Molecular Formula
C21H30N2O
SMILES
C1CCN(CC1)CCC(C2=CCCCC2)(C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C21H30N2O/c22-20(24)21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-23-15-8-3-9-16-23/h1,4-5,10-12H,2-3,6-9,13-17H2,(H2,22,24)
InChIKey
DYFVHGLQTFSGJC-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)-2-phenyl-4-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.2358 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.243076 181.0
[M+Na]+ 349.225018 180.0
[M-H]- 325.228524 185.8
[M+NH4]+ 344.269623 191.4
[M+K]+ 365.198958 175.2
[M+H-H2O]+ 309.233060 170.7
[M+HCOO]- 371.234001 193.9
[M+CH3COO]- 385.249651 210.0
[M+Na-2H]- 347.210466 181.9
[M]+ 326.23525142 171.0
[M]- 326.23634858 171.0
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.