CID 368838

Nsc640163

Structural Information

Molecular Formula
C9H14N2O6S2
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NNS(=O)(=O)C)OC
InChI
InChI=1S/C9H14N2O6S2/c1-16-8-5-4-7(6-9(8)17-2)19(14,15)11-10-18(3,12)13/h4-6,10-11H,1-3H3
InChIKey
WAUWNJCSMPTGTL-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N'-methylsulfonylbenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.02933 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03661 164.3
[M+Na]+ 333.01855 171.3
[M-H]- 309.02205 167.4
[M+NH4]+ 328.06315 178.3
[M+K]+ 348.99249 167.7
[M+H-H2O]+ 293.02659 157.3
[M+HCOO]- 355.02753 178.1
[M+CH3COO]- 369.04318 202.3
[M+Na-2H]- 331.00400 169.8
[M]+ 310.02878 170.2
[M]- 310.02988 170.2
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.