CID 3000617

[(4-aminophenyl)sulfonylamino]thiourea

Structural Information

Molecular Formula
C7H10N4O2S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NNC(=S)N
InChI
InChI=1S/C7H10N4O2S2/c8-5-1-3-6(4-2-5)15(12,13)11-10-7(9)14/h1-4,11H,8H2,(H3,9,10,14)
InChIKey
LSRYZUYPBCHYFJ-UHFFFAOYSA-N
Compound name
[(4-aminophenyl)sulfonylamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.02452 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03180 147.9
[M+Na]+ 269.01374 153.8
[M-H]- 245.01724 149.7
[M+NH4]+ 264.05834 163.3
[M+K]+ 284.98768 148.0
[M+H-H2O]+ 229.02178 140.5
[M+HCOO]- 291.02272 162.1
[M+CH3COO]- 305.03837 196.3
[M+Na-2H]- 266.99919 151.1
[M]+ 246.02397 144.3
[M]- 246.02507 144.3
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

No patent data available for this compound.