CID 1213452

664969-54-4

Structural Information

Molecular Formula
C20H24N4O2S2
SMILES
C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C20H24N4O2S2/c21-28(25,26)19-10-8-18(9-11-19)22-20(27)24-15-13-23(14-16-24)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2,(H,22,27)(H2,21,25,26)/b7-4+
InChIKey
ZUQIFHLBPBLRRM-QPJJXVBHSA-N
Compound name
4-[(E)-3-phenylprop-2-enyl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

416.13406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14134 195.1
[M+Na]+ 439.12328 199.0
[M-H]- 415.12678 199.5
[M+NH4]+ 434.16788 201.9
[M+K]+ 455.09722 190.1
[M+H-H2O]+ 399.13132 185.7
[M+HCOO]- 461.13226 201.7
[M+CH3COO]- 475.14791 222.2
[M+Na-2H]- 437.10873 195.6
[M]+ 416.13351 190.6
[M]- 416.13461 190.6
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