CID 370401

Nsc643500

Structural Information

Molecular Formula
C11H13N3O4S2
SMILES
CNS(=O)(=O)NNS(=O)(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C11H13N3O4S2/c1-12-20(17,18)14-13-19(15,16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12-14H,1H3
InChIKey
DSUUNLUKSHMDFN-UHFFFAOYSA-N
Compound name
N'-(methylsulfamoyl)naphthalene-2-sulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.03476 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.04204 163.9
[M+Na]+ 338.02398 170.6
[M-H]- 314.02748 167.2
[M+NH4]+ 333.06858 178.3
[M+K]+ 353.99792 165.3
[M+H-H2O]+ 298.03202 157.1
[M+HCOO]- 360.03296 177.7
[M+CH3COO]- 374.04861 205.5
[M+Na-2H]- 336.00943 173.6
[M]+ 315.03421 166.0
[M]- 315.03531 166.0
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.