CID 136267257

Sethoxydim sulfoxide

Structural Information

Molecular Formula
C17H29NO4S
SMILES
CCCC(=NOCC)C1=C(CC(CC1=O)CC(C)S(=O)CC)O
InChI
InChI=1S/C17H29NO4S/c1-5-8-14(18-22-6-2)17-15(19)10-13(11-16(17)20)9-12(4)23(21)7-3/h12-13,19H,5-11H2,1-4H3
InChIKey
JSINUQQVQZIIPI-UHFFFAOYSA-N
Compound name
2-(N-ethoxy-C-propylcarbonimidoyl)-5-(2-ethylsulfinylpropyl)-3-hydroxycyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.18173 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18901 181.7
[M+Na]+ 366.17095 184.8
[M-H]- 342.17445 183.9
[M+NH4]+ 361.21555 195.2
[M+K]+ 382.14489 182.2
[M+H-H2O]+ 326.17899 174.5
[M+HCOO]- 388.17993 194.5
[M+CH3COO]- 402.19558 215.9
[M+Na-2H]- 364.15640 176.3
[M]+ 343.18118 185.9
[M]- 343.18228 185.9
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.