CID 3066367

Piperazine, 1-methyl-4-(1-phenylcyclohexylcarbonyl)-, hydrochloride

Structural Information

Molecular Formula
C18H26N2O
SMILES
CN1CCN(CC1)C(=O)C2(CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C18H26N2O/c1-19-12-14-20(15-13-19)17(21)18(10-6-3-7-11-18)16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3
InChIKey
ADLIRQNMHPKBSQ-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(1-phenylcyclohexyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.2045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 173.5
[M+Na]+ 309.19372 185.3
[M+NH4]+ 304.23832 183.1
[M+K]+ 325.16766 175.5
[M-H]- 285.19722 178.5
[M+Na-2H]- 307.17917 182.2
[M]+ 286.20395 176.6
[M]- 286.20505 176.6
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

patents stripe