CID 456706

Inh 4mephso2 de

Structural Information

Molecular Formula
C13H17N3O3S
SMILES
CC1=CCC(CC1)S(=O)(=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H17N3O3S/c1-10-2-4-12(5-3-10)20(18,19)16-15-13(17)11-6-8-14-9-7-11/h2,6-9,12,16H,3-5H2,1H3,(H,15,17)
InChIKey
CDIFMCAALWZCMI-UHFFFAOYSA-N
Compound name
N'-(4-methylcyclohex-3-en-1-yl)sulfonylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09906 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10634 164.5
[M+Na]+ 318.08828 169.4
[M-H]- 294.09178 169.2
[M+NH4]+ 313.13288 177.7
[M+K]+ 334.06222 165.7
[M+H-H2O]+ 278.09632 156.3
[M+HCOO]- 340.09726 180.5
[M+CH3COO]- 354.11291 201.6
[M+Na-2H]- 316.07373 168.8
[M]+ 295.09851 163.0
[M]- 295.09961 163.0
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.