CID 3052527

1-(2-((4-chloro-alpha-phenylphenethyl)amino)ethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C20H26ClN3
SMILES
C1CN(CCN1CCN)C(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H26ClN3/c21-19-8-6-17(7-9-19)16-20(18-4-2-1-3-5-18)24-14-12-23(11-10-22)13-15-24/h1-9,20H,10-16,22H2
InChIKey
SVWNUYJTQHPYCE-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-chlorophenyl)-1-phenylethyl]piperazin-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.18152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18880 185.3
[M+Na]+ 366.17074 199.5
[M+NH4]+ 361.21534 193.8
[M+K]+ 382.14468 189.8
[M-H]- 342.17424 191.8
[M+Na-2H]- 364.15619 194.4
[M]+ 343.18097 189.5
[M]- 343.18207 189.5
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.