CID 3047114

Semioxamazide, 5-hydroxy-1-(p-tolylsulfonyl)-

Structural Information

Molecular Formula
C9H11N3O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NO
InChI
InChI=1S/C9H11N3O5S/c1-6-2-4-7(5-3-6)18(16,17)12-10-8(13)9(14)11-15/h2-5,12,15H,1H3,(H,10,13)(H,11,14)
InChIKey
CXWHVCBNZIAMNT-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.04193 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04921 155.6
[M+Na]+ 296.03115 160.8
[M-H]- 272.03465 157.8
[M+NH4]+ 291.07575 170.0
[M+K]+ 312.00509 158.5
[M+H-H2O]+ 256.03919 148.5
[M+HCOO]- 318.04013 174.1
[M+CH3COO]- 332.05578 196.6
[M+Na-2H]- 294.01660 159.8
[M]+ 273.04138 155.8
[M]- 273.04248 155.8
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.