CID 43449361

3-amino-n-methyl-4-sulfanylbenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C7H10N2O2S2
SMILES
CNS(=O)(=O)C1=CC(=C(C=C1)S)N
InChI
InChI=1S/C7H10N2O2S2/c1-9-13(10,11)5-2-3-7(12)6(8)4-5/h2-4,9,12H,8H2,1H3
InChIKey
CERXIGMHUHDLNS-UHFFFAOYSA-N
Compound name
3-amino-N-methyl-4-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.01837 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.02565 142.4
[M+Na]+ 241.00759 151.0
[M-H]- 217.01109 145.6
[M+NH4]+ 236.05219 160.7
[M+K]+ 256.98153 146.0
[M+H-H2O]+ 201.01563 136.3
[M+HCOO]- 263.01657 156.5
[M+CH3COO]- 277.03222 188.2
[M+Na-2H]- 238.99304 145.4
[M]+ 218.01782 143.2
[M]- 218.01892 143.2
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.