CID 3072738

1-(2,2-diphenylethyl)-4-(2-hydroxy-3-phenylthiopropyl)piperazine

Structural Information

Molecular Formula
C27H32N2OS
SMILES
C1CN(CCN1CC(CSC2=CC=CC=C2)O)CC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H32N2OS/c30-25(22-31-26-14-8-3-9-15-26)20-28-16-18-29(19-17-28)21-27(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-15,25,27,30H,16-22H2
InChIKey
ZWVRSXWSCRKTPE-UHFFFAOYSA-N
Compound name
1-[4-(2,2-diphenylethyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

432.22354 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.23082 203.6
[M+Na]+ 455.21276 204.1
[M-H]- 431.21626 209.4
[M+NH4]+ 450.25736 208.5
[M+K]+ 471.18670 196.2
[M+H-H2O]+ 415.22080 191.5
[M+HCOO]- 477.22174 211.1
[M+CH3COO]- 491.23739 208.6
[M+Na-2H]- 453.19821 201.6
[M]+ 432.22299 199.2
[M]- 432.22409 199.2
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

patents stripe