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 172.5
[M+Na]+ 309.19372 174.4
[M-H]- 285.19722 177.2
[M+NH4]+ 304.23832 186.1
[M+K]+ 325.16766 170.5
[M+H-H2O]+ 269.20176 161.8
[M+HCOO]- 331.20270 184.9
[M+CH3COO]- 345.21835 180.6
[M+Na-2H]- 307.17917 173.6
[M]+ 286.20395 163.2
[M]- 286.20505 163.2
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