CID 139597173

Cycloxydim sulfoxide

Structural Information

Molecular Formula
C17H27NO4S
SMILES
CCC/C(=N/OCC)/C1=C(CC(CC1=O)C2CCCS(=O)C2)O
InChI
InChI=1S/C17H27NO4S/c1-3-6-14(18-22-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-23(21)11-12/h12-13,19H,3-11H2,1-2H3/b18-14-
InChIKey
SVKHAVSUBSUFBQ-JXAWBTAJSA-N
Compound name
2-[(Z)-N-ethoxy-C-propylcarbonimidoyl]-3-hydroxy-5-(1-oxothian-3-yl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

341.16608 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.173356 179.3
[M+Na]+ 364.155298 182.2
[M-H]- 340.158804 184.3
[M+NH4]+ 359.199903 192.7
[M+K]+ 380.129238 178.8
[M+H-H2O]+ 324.163340 171.7
[M+HCOO]- 386.164281 191.5
[M+CH3COO]- 400.179931 212.5
[M+Na-2H]- 362.140746 175.5
[M]+ 341.16553142 178.4
[M]- 341.16662858 178.4
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.