CID 139597173

Cycloxydim tp1

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]+ 342.17336 179.3
[M+Na]+ 364.15530 182.2
[M-H]- 340.15880 184.3
[M+NH4]+ 359.19990 192.7
[M+K]+ 380.12924 178.8
[M+H-H2O]+ 324.16334 171.7
[M+HCOO]- 386.16428 191.5
[M+CH3COO]- 400.17993 212.5
[M+Na-2H]- 362.14075 175.5
[M]+ 341.16553 178.4
[M]- 341.16663 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.