CID 891831

4-({[(4-methylpiperazin-1-yl)amino]carbonothioyl}amino)benzenesulfonamide

Structural Information

Molecular Formula
C12H19N5O2S2
SMILES
CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C12H19N5O2S2/c1-16-6-8-17(9-7-16)15-12(20)14-10-2-4-11(5-3-10)21(13,18)19/h2-5H,6-9H2,1H3,(H2,13,18,19)(H2,14,15,20)
InChIKey
BPPLIZHQOIGRPZ-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-3-(4-sulfamoylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.09802 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10530 170.7
[M+Na]+ 352.08724 175.2
[M-H]- 328.09074 172.7
[M+NH4]+ 347.13184 181.0
[M+K]+ 368.06118 168.8
[M+H-H2O]+ 312.09528 162.5
[M+HCOO]- 374.09622 178.7
[M+CH3COO]- 388.11187 209.3
[M+Na-2H]- 350.07269 172.5
[M]+ 329.09747 165.9
[M]- 329.09857 165.9
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

No patent data available for this compound.