CID 5903904

Nsc640352

Structural Information

Molecular Formula
C12H14N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C/C(=O)C
InChI
InChI=1S/C12H14N2O4S/c1-9-3-6-11(7-4-9)19(17,18)14-13-12(16)8-5-10(2)15/h3-8,14H,1-2H3,(H,13,16)/b8-5+
InChIKey
OPBWKLXVROIGOJ-VMPITWQZSA-N
Compound name
(E)-N'-(4-methylphenyl)sulfonyl-4-oxopent-2-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0674 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07468 161.6
[M+Na]+ 305.05662 167.6
[M-H]- 281.06012 165.0
[M+NH4]+ 300.10122 176.9
[M+K]+ 321.03056 164.2
[M+H-H2O]+ 265.06466 154.7
[M+HCOO]- 327.06560 179.8
[M+CH3COO]- 341.08125 200.0
[M+Na-2H]- 303.04207 164.1
[M]+ 282.06685 163.7
[M]- 282.06795 163.7
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.