CID 16729508

Chembl242971

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=COC=C2
InChI
InChI=1S/C12H12N2O4S/c1-9-2-4-11(5-3-9)19(16,17)14-13-12(15)10-6-7-18-8-10/h2-8,14H,1H3,(H,13,15)
InChIKey
MADMUOJLEJQQSN-UHFFFAOYSA-N
Compound name
N'-(4-methylphenyl)sulfonylfuran-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.0518 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 160.8
[M+Na]+ 303.04102 168.2
[M-H]- 279.04452 168.8
[M+NH4]+ 298.08562 176.8
[M+K]+ 319.01496 166.2
[M+H-H2O]+ 263.04906 154.1
[M+HCOO]- 325.05000 181.5
[M+CH3COO]- 339.06565 197.4
[M+Na-2H]- 301.02647 165.6
[M]+ 280.05125 164.0
[M]- 280.05235 164.0
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.