CID 3072740

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

Structural Information

Molecular Formula
C28H34N2OS
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC(CSC4=CC=CC=C4)O
InChI
InChI=1S/C28H34N2OS/c31-26(23-32-27-14-8-3-9-15-27)22-30-20-18-29(19-21-30)17-16-28(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,26,28,31H,16-23H2
InChIKey
QXFPSBDUGSROFC-UHFFFAOYSA-N
Compound name
1-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

446.2392 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.24648 207.6
[M+Na]+ 469.22842 207.6
[M-H]- 445.23192 213.1
[M+NH4]+ 464.27302 211.9
[M+K]+ 485.20236 199.5
[M+H-H2O]+ 429.23646 195.3
[M+HCOO]- 491.23740 214.7
[M+CH3COO]- 505.25305 212.1
[M+Na-2H]- 467.21387 205.1
[M]+ 446.23865 203.5
[M]- 446.23975 203.5
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

patents stripe