PubChemLite - Sd 57706 (C26H24N2O5)

Structural Information

Molecular Formula

SMILES

CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=N/OCC4=CC=CO4)C

InChI

InChI=1S/C26H24N2O5/c1-26(2)22(16-28-31-17-21-12-7-13-30-21)24(26)25(29)33-23(15-27)18-8-6-11-20(14-18)32-19-9-4-3-5-10-19/h3-14,16,22-24H,17H2,1-2H3/b28-16+

InChIKey

VPYUUNAASHRARR-LQKURTRISA-N

Compound name

[cyano-(3-phenoxyphenyl)methyl] 3-[(E)-furan-2-ylmethoxyiminomethyl]-2,2-dimethylcyclopropane-1-carboxylate

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]+	445.17580	202.9
[M+Na]+	467.15774	216.7
[M-H]-	443.16124	216.2
[M+NH4]+	462.20234	210.2
[M+K]+	483.13168	208.7
[M+H-H2O]+	427.16578	190.6
[M+HCOO]-	489.16672	223.8
[M+CH3COO]-	503.18237	240.2
[M+Na-2H]-	465.14319	204.6
[M]+	444.16797	208.0
[M]-	444.16907	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.17580

202.9

[M+Na]+

467.15774

216.7

[M-H]-

443.16124

216.2

[M+NH4]+

462.20234

210.2

[M+K]+

483.13168

208.7

[M+H-H2O]+

427.16578

190.6

[M+HCOO]-

489.16672

223.8

[M+CH3COO]-

503.18237

240.2

[M+Na-2H]-

465.14319

204.6

[M]+

444.16797

208.0

[M]-

444.16907

208.0

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

Sd 57706

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe