CID 829346

N'-(3-acetyl-4-hydroxy-6-methyl-2h-pyran-2-ylidene)-4-methylbenzenesulfonohydrazide

Structural Information

Molecular Formula
C15H16N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC2=C(C(=O)C=C(O2)C)C(=O)C
InChI
InChI=1S/C15H16N2O5S/c1-9-4-6-12(7-5-9)23(20,21)17-16-15-14(11(3)18)13(19)8-10(2)22-15/h4-8,16-17H,1-3H3
InChIKey
UUPACWBEDTWEPD-UHFFFAOYSA-N
Compound name
N'-(3-acetyl-6-methyl-4-oxopyran-2-yl)-4-methylbenzenesulfonohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

336.078 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08528 175.5
[M+Na]+ 359.06722 186.7
[M+NH4]+ 354.11182 180.6
[M+K]+ 375.04116 180.9
[M-H]- 335.07072 179.2
[M+Na-2H]- 357.05267 181.1
[M]+ 336.07745 178.4
[M]- 336.07855 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.