CID 3056214

Piperazine, 1-(4-((4-(phenylthio)phenyl)methyl)-2-thiazolyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H21N3S2
SMILES
C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)SC4=CC=CC=C4
InChI
InChI=1S/C20H21N3S2/c1-2-4-18(5-3-1)25-19-8-6-16(7-9-19)14-17-15-24-20(22-17)23-12-10-21-11-13-23/h1-9,15,21H,10-14H2
InChIKey
OWISSYJSTNBENL-UHFFFAOYSA-N
Compound name
4-[(4-phenylsulfanylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

367.11768 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12496 180.2
[M+Na]+ 390.10690 187.4
[M-H]- 366.11040 186.8
[M+NH4]+ 385.15150 190.4
[M+K]+ 406.08084 178.5
[M+H-H2O]+ 350.11494 171.3
[M+HCOO]- 412.11588 187.4
[M+CH3COO]- 426.13153 188.6
[M+Na-2H]- 388.09235 178.3
[M]+ 367.11713 177.1
[M]- 367.11823 177.1
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