CID 9571337

Nsc646186

Structural Information

Molecular Formula
C17H24N2O4S
SMILES
CC1CCC/C(=N\NS(=O)(=O)C2=CC=C(C=C2)C)/C1(C)C(=O)OC
InChI
InChI=1S/C17H24N2O4S/c1-12-8-10-14(11-9-12)24(21,22)19-18-15-7-5-6-13(2)17(15,3)16(20)23-4/h8-11,13,19H,5-7H2,1-4H3/b18-15+
InChIKey
LWLNBYRIVLIODI-OBGWFSINSA-N
Compound name
methyl (6E)-1,2-dimethyl-6-[(4-methylphenyl)sulfonylhydrazinylidene]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1457 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15298 179.3
[M+Na]+ 375.13492 184.4
[M-H]- 351.13842 186.4
[M+NH4]+ 370.17952 194.6
[M+K]+ 391.10886 181.8
[M+H-H2O]+ 335.14296 172.2
[M+HCOO]- 397.14390 195.5
[M+CH3COO]- 411.15955 216.4
[M+Na-2H]- 373.12037 181.7
[M]+ 352.14515 181.0
[M]- 352.14625 181.0
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.