CID 44392435

Chembl183913

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
CN(C1=CC=C(C=C1)S(=O)(=O)N)N
InChI
InChI=1S/C7H11N3O2S/c1-10(8)6-2-4-7(5-3-6)13(9,11)12/h2-5H,8H2,1H3,(H2,9,11,12)
InChIKey
XGAFGUJHKUYKIM-UHFFFAOYSA-N
Compound name
4-[amino(methyl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

201.0572 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06448 139.5
[M+Na]+ 224.04642 146.9
[M-H]- 200.04992 144.0
[M+NH4]+ 219.09102 158.3
[M+K]+ 240.02036 144.9
[M+H-H2O]+ 184.05446 132.9
[M+HCOO]- 246.05540 160.5
[M+CH3COO]- 260.07105 190.1
[M+Na-2H]- 222.03187 143.9
[M]+ 201.05665 138.9
[M]- 201.05775 138.9
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.