CID 9574726

[(z)-(4-sulfamoylphenyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C8H10N4O2S2
SMILES
C1=CC(=CC=C1/C=N\NC(=S)N)S(=O)(=O)N
InChI
InChI=1S/C8H10N4O2S2/c9-8(15)12-11-5-6-1-3-7(4-2-6)16(10,13)14/h1-5H,(H3,9,12,15)(H2,10,13,14)/b11-5-
InChIKey
PXHVGAPNZJQWNN-WZUFQYTHSA-N
Compound name
[(Z)-(4-sulfamoylphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.0245 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03178 152.7
[M+Na]+ 281.01372 158.9
[M-H]- 257.01722 155.8
[M+NH4]+ 276.05832 168.4
[M+K]+ 296.98766 153.2
[M+H-H2O]+ 241.02176 145.0
[M+HCOO]- 303.02270 168.3
[M+CH3COO]- 317.03835 199.9
[M+Na-2H]- 278.99917 155.7
[M]+ 258.02395 150.4
[M]- 258.02505 150.4
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.