CID 135499147

Cycloxydim

Structural Information

Molecular Formula
C17H27NO3S
SMILES
CCCC(=NOCC)C1=C(CC(CC1=O)C2CCCSC2)O
InChI
InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,19H,3-11H2,1-2H3
InChIKey
GGWHBJGBERXSLL-UHFFFAOYSA-N
Compound name
2-(N-ethoxy-C-propylcarbonimidoyl)-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

27421
Patents

325.17117 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17845 177.3
[M+Na]+ 348.16039 179.3
[M-H]- 324.16389 182.0
[M+NH4]+ 343.20499 191.2
[M+K]+ 364.13433 175.8
[M+H-H2O]+ 308.16843 169.6
[M+HCOO]- 370.16937 189.2
[M+CH3COO]- 384.18502 209.7
[M+Na-2H]- 346.14584 173.9
[M]+ 325.17062 175.3
[M]- 325.17172 175.3
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.