CID 94353

Dtxsid20929820

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

36
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.