PubChemLite - Tepraloxydim (C17H24ClNO4)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	342.14665	179.5
[M+Na]+	364.12859	189.1
[M+NH4]+	359.17319	185.7
[M+K]+	380.10253	182.8
[M-H]-	340.13209	183.2
[M+Na-2H]-	362.11404	182.1
[M]+	341.13882	181.8
[M]-	341.13992	181.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

342.14665

179.5

[M+Na]+

364.12859

189.1

[M+NH4]+

359.17319

185.7

[M+K]+

380.10253

182.8

[M-H]-

340.13209

183.2

[M+Na-2H]-

362.11404

182.1

[M]+

341.13882

181.8

[M]-

341.13992

181.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Tepraloxydim

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe