CID 204256

16018-28-3

Structural Information

Molecular Formula
C21H28N2
SMILES
CC(CC1=CC=CC=C1)N2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C21H28N2/c1-19(18-21-10-6-3-7-11-21)23-16-14-22(15-17-23)13-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
InChIKey
IWGUJSCRGFVTEC-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-4-(1-phenylpropan-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 179.7
[M+Na]+ 331.21447 194.1
[M+NH4]+ 326.25907 188.4
[M+K]+ 347.18841 184.2
[M-H]- 307.21797 186.0
[M+Na-2H]- 329.19992 189.5
[M]+ 308.22470 183.7
[M]- 308.22580 183.7
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.