Fenpyroximate m-19 (C24H25N3O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CON=CC2=C(N(N=C2C(=O)O)C)OC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O6/c1-24(2,3)33-23(30)17-12-10-16(11-13-17)15-31-25-14-19-20(22(28)29)26-27(4)21(19)32-18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,28,29)

InChIKey

GEWJDLJSXFWWRY-UHFFFAOYSA-N

Compound name

1-methyl-4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methoxyiminomethyl]-5-phenoxypyrazole-3-carboxylic acid

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]+	452.181626	207.2
[M+Na]+	474.163568	212.6
[M-H]-	450.167074	214.9
[M+NH4]+	469.208173	214.2
[M+K]+	490.137508	210.1
[M+H-H2O]+	434.171610	196.7
[M+HCOO]-	496.172551	226.6
[M+CH3COO]-	510.188201	233.0
[M+Na-2H]-	472.149016	207.2
[M]+	451.17380142	214.0
[M]-	451.17489858	214.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.181626

207.2

[M+Na]+

474.163568

212.6

[M-H]-

450.167074

214.9

[M+NH4]+

469.208173

214.2

[M+K]+

490.137508

210.1

[M+H-H2O]+

434.171610

196.7

[M+HCOO]-

496.172551

226.6

[M+CH3COO]-

510.188201

233.0

[M+Na-2H]-

472.149016

207.2

[M]+

451.17380142

214.0

[M]-

451.17489858

214.0

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

Fenpyroximate m-19

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe