CID 385882

Nsc677282

Structural Information

Molecular Formula
C11H12N4O4S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)NNC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C11H12N4O4S/c1-20(18,19)8-4-2-7(3-5-8)14-15-9-6-10(16)13-11(17)12-9/h2-6,14H,1H3,(H3,12,13,15,16,17)
InChIKey
HFKKYLMVYGCIBR-UHFFFAOYSA-N
Compound name
6-[2-(4-methylsulfonylphenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.05792 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06520 162.6
[M+Na]+ 319.04714 171.5
[M-H]- 295.05064 164.9
[M+NH4]+ 314.09174 173.5
[M+K]+ 335.02108 165.0
[M+H-H2O]+ 279.05518 154.6
[M+HCOO]- 341.05612 179.0
[M+CH3COO]- 355.07177 197.3
[M+Na-2H]- 317.03259 168.5
[M]+ 296.05737 162.0
[M]- 296.05847 162.0
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.