CID 135565470

Sethoxydim sulfone

Structural Information

Molecular Formula
C17H29NO5S
SMILES
CCC/C(=N\OCC)/C1=C(CC(CC1=O)CC(C)S(=O)(=O)CC)O
InChI
InChI=1S/C17H29NO5S/c1-5-8-14(18-23-6-2)17-15(19)10-13(11-16(17)20)9-12(4)24(21,22)7-3/h12-13,19H,5-11H2,1-4H3/b18-14+
InChIKey
AZJOVWWMIUKTHY-NBVRZTHBSA-N
Compound name
2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfonylpropyl)-3-hydroxycyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.17664 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18392 183.3
[M+Na]+ 382.16586 187.1
[M-H]- 358.16936 185.7
[M+NH4]+ 377.21046 196.2
[M+K]+ 398.13980 184.5
[M+H-H2O]+ 342.17390 176.5
[M+HCOO]- 404.17484 196.1
[M+CH3COO]- 418.19049 216.8
[M+Na-2H]- 380.15131 180.5
[M]+ 359.17609 188.4
[M]- 359.17719 188.4
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.