CID 94353

Piperazine, 1,4-bis(alpha-methylphenethyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H30N2
SMILES
CC(CC1=CC=CC=C1)N2CCN(CC2)C(C)CC3=CC=CC=C3
InChI
InChI=1S/C22H30N2/c1-19(17-21-9-5-3-6-10-21)23-13-15-24(16-14-23)20(2)18-22-11-7-4-8-12-22/h3-12,19-20H,13-18H2,1-2H3
InChIKey
VIYHGODXJCNFCQ-UHFFFAOYSA-N
Compound name
1,4-bis(1-phenylpropan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

322.2409 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.24818 182.4
[M+Na]+ 345.23012 183.9
[M-H]- 321.23362 187.1
[M+NH4]+ 340.27472 192.6
[M+K]+ 361.20406 178.5
[M+H-H2O]+ 305.23816 170.9
[M+HCOO]- 367.23910 196.2
[M+CH3COO]- 381.25475 189.9
[M+Na-2H]- 343.21557 182.6
[M]+ 322.24035 177.2
[M]- 322.24145 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe