CID 5469158

Nsc683745

Structural Information

Molecular Formula
C11H12N4O4S
SMILES
CN1C(=O)/C(=C/C2=CC=C(C=C2)S(=O)(=O)NN)/NC1=O
InChI
InChI=1S/C11H12N4O4S/c1-15-10(16)9(13-11(15)17)6-7-2-4-8(5-3-7)20(18,19)14-12/h2-6,14H,12H2,1H3,(H,13,17)/b9-6-
InChIKey
FBPZAVUNFCTVMH-TWGQIWQCSA-N
Compound name
4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.05792 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06520 165.3
[M+Na]+ 319.04714 173.7
[M-H]- 295.05064 168.3
[M+NH4]+ 314.09174 178.7
[M+K]+ 335.02108 168.3
[M+H-H2O]+ 279.05518 158.3
[M+HCOO]- 341.05612 180.7
[M+CH3COO]- 355.07177 199.1
[M+Na-2H]- 317.03259 165.8
[M]+ 296.05737 163.4
[M]- 296.05847 163.4
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.