CID 24842548

Brn 0298155

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]+ 327.24308 181.0
[M+Na]+ 349.22502 180.0
[M-H]- 325.22852 185.8
[M+NH4]+ 344.26962 191.4
[M+K]+ 365.19896 175.2
[M+H-H2O]+ 309.23306 170.7
[M+HCOO]- 371.23400 193.9
[M+CH3COO]- 385.24965 210.0
[M+Na-2H]- 347.21047 181.9
[M]+ 326.23525 171.0
[M]- 326.23635 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.