CID 367383

Nsc637072

Structural Information

Molecular Formula
C7H10N4O6S2
SMILES
CNS(=O)(=O)NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O6S2/c1-8-19(16,17)10-9-18(14,15)7-4-2-3-6(5-7)11(12)13/h2-5,8-10H,1H3
InChIKey
UHHZTHNHQGGOQT-UHFFFAOYSA-N
Compound name
N'-(methylsulfamoyl)-3-nitrobenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.00418 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01146 156.4
[M+Na]+ 332.99340 160.5
[M-H]- 308.99690 158.8
[M+NH4]+ 328.03800 168.3
[M+K]+ 348.96734 151.9
[M+H-H2O]+ 293.00144 152.9
[M+HCOO]- 355.00238 171.9
[M+CH3COO]- 369.01803 196.2
[M+Na-2H]- 330.97885 167.0
[M]+ 310.00363 154.7
[M]- 310.00473 154.7
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.