CID 135585373

Tepraloxydim

Structural Information

Molecular Formula
C17H24ClNO4
SMILES
CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)C2CCOCC2)O
InChI
InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+
InChIKey
IOYNQIMAUDJVEI-BMVIKAAMSA-N
Compound name
2-[(E)-N-[(E)-3-chloroprop-2-enoxy]-C-ethylcarbonimidoyl]-3-hydroxy-5-(oxan-4-yl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

21470
Patents

341.13937 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14665 181.5
[M+Na]+ 364.12859 184.9
[M-H]- 340.13209 187.1
[M+NH4]+ 359.17319 193.9
[M+K]+ 380.10253 181.4
[M+H-H2O]+ 324.13663 174.3
[M+HCOO]- 386.13757 193.6
[M+CH3COO]- 400.15322 210.7
[M+Na-2H]- 362.11404 180.6
[M]+ 341.13882 180.6
[M]- 341.13992 180.6
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

patents stripe