CID 91048

23905-06-8

Structural Information

Molecular Formula
C24H26ClN3S
SMILES
C1CN(CCN1CCSC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4
InChI
InChI=1S/C24H26ClN3S/c25-22-11-9-21(10-12-22)24(20-6-2-1-3-7-20)29-19-18-27-14-16-28(17-15-27)23-8-4-5-13-26-23/h1-13,24H,14-19H2
InChIKey
IJPLCFDMFBPJOP-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)-phenylmethyl]sulfanylethyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1536 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16088 199.9
[M+Na]+ 446.14282 217.1
[M+NH4]+ 441.18742 209.0
[M+K]+ 462.11676 203.8
[M-H]- 422.14632 208.3
[M+Na-2H]- 444.12827 211.8
[M]+ 423.15305 205.8
[M]- 423.15415 205.8
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.