CID 204248

16018-24-9

Structural Information

Molecular Formula
C19H30N2
SMILES
CC(CC1=CC=CC=C1)N2CCN(CC2)C3CCCCC3
InChI
InChI=1S/C19H30N2/c1-17(16-18-8-4-2-5-9-18)20-12-14-21(15-13-20)19-10-6-3-7-11-19/h2,4-5,8-9,17,19H,3,6-7,10-16H2,1H3
InChIKey
UUXYIHUNUWDSNC-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(1-phenylpropan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2409 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24818 173.8
[M+Na]+ 309.23012 173.8
[M-H]- 285.23362 177.7
[M+NH4]+ 304.27472 185.2
[M+K]+ 325.20406 169.2
[M+H-H2O]+ 269.23816 162.5
[M+HCOO]- 331.23910 185.3
[M+CH3COO]- 345.25475 180.9
[M+Na-2H]- 307.21557 173.4
[M]+ 286.24035 163.8
[M]- 286.24145 163.8
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