CID 3052525

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

Structural Information

Molecular Formula
C20H27N3
SMILES
C1CN(CCN1CCN)C(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H27N3/c21-11-12-22-13-15-23(16-14-22)20(19-9-5-2-6-10-19)17-18-7-3-1-4-8-18/h1-10,20H,11-17,21H2
InChIKey
OIFQCVXIWPPAOG-UHFFFAOYSA-N
Compound name
2-[4-(1,2-diphenylethyl)piperazin-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2205 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22778 177.1
[M+Na]+ 332.20972 179.0
[M-H]- 308.21322 181.5
[M+NH4]+ 327.25432 187.3
[M+K]+ 348.18366 173.1
[M+H-H2O]+ 292.21776 165.6
[M+HCOO]- 354.21870 193.0
[M+CH3COO]- 368.23435 184.8
[M+Na-2H]- 330.19517 179.1
[M]+ 309.21995 170.2
[M]- 309.22105 170.2
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.