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

2
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

patents stripe