Fenpyroximate m-2 (C24H27N3O5)

Structural Information

Molecular Formula

SMILES

CC1=NN(C(=C1/C=N\OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=C(C=C3)O)C

InChI

InChI=1S/C24H27N3O5/c1-16-21(22(27(5)26-16)31-20-12-10-19(28)11-13-20)14-25-30-15-17-6-8-18(9-7-17)23(29)32-24(2,3)4/h6-14,28H,15H2,1-5H3/b25-14-

InChIKey

SIMGLQDPEXXBFP-QFEZKATASA-N

Compound name

tert-butyl 4-[[(Z)-[5-(4-hydroxyphenoxy)-1,3-dimethylpyrazol-4-yl]methylideneamino]oxymethyl]benzoate

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]+	438.202346	206.9
[M+Na]+	460.184288	213.6
[M-H]-	436.187794	214.9
[M+NH4]+	455.228893	215.1
[M+K]+	476.158228	210.2
[M+H-H2O]+	420.192330	196.4
[M+HCOO]-	482.193271	226.9
[M+CH3COO]-	496.208921	232.0
[M+Na-2H]-	458.169736	206.8
[M]+	437.19452142	214.0
[M]-	437.19561858	214.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.202346

206.9

[M+Na]+

460.184288

213.6

[M-H]-

436.187794

214.9

[M+NH4]+

455.228893

215.1

[M+K]+

476.158228

210.2

[M+H-H2O]+

420.192330

196.4

[M+HCOO]-

482.193271

226.9

[M+CH3COO]-

496.208921

232.0

[M+Na-2H]-

458.169736

206.8

[M]+

437.19452142

214.0

[M]-

437.19561858

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-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe