CID 578531

1,4-bis-(thiobenzoyl)-piperazine

Structural Information

Molecular Formula
C18H18N2S2
SMILES
C1CN(CCN1C(=S)C2=CC=CC=C2)C(=S)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2S2/c21-17(15-7-3-1-4-8-15)19-11-13-20(14-12-19)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
UAECCVTYKLPSEX-UHFFFAOYSA-N
Compound name
[4-(benzenecarbonothioyl)piperazin-1-yl]-phenylmethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

326.09116 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09844 168.6
[M+Na]+ 349.08038 182.1
[M+NH4]+ 344.12498 177.8
[M+K]+ 365.05432 170.3
[M-H]- 325.08388 174.6
[M+Na-2H]- 347.06583 177.7
[M]+ 326.09061 173.3
[M]- 326.09171 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe