PubChemLite - Butroxydim (C24H33NO4)

Structural Information

Molecular Formula

SMILES

CCCC(=O)C1=C(C=C(C(=C1C)C2CC(=C(C(=O)C2)/C(=N/OCC)/CC)O)C)C

InChI

InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,27H,7-10,12-13H2,1-6H3/b25-18+

InChIKey

ZOGDSYNXUXQGHF-XIEYBQDHSA-N

Compound name

5-(3-butanoyl-2,4,6-trimethylphenyl)-2-[(E)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxycyclohex-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]+	400.24825	200.1
[M+Na]+	422.23019	210.9
[M+NH4]+	417.27479	205.0
[M+K]+	438.20413	204.6
[M-H]-	398.23369	202.8
[M+Na-2H]-	420.21564	202.7
[M]+	399.24042	202.1
[M]-	399.24152	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.24825

200.1

[M+Na]+

422.23019

210.9

[M+NH4]+

417.27479

205.0

[M+K]+

438.20413

204.6

[M-H]-

398.23369

202.8

[M+Na-2H]-

420.21564

202.7

[M]+

399.24042

202.1

[M]-

399.24152

202.1

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

Butroxydim

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe