PubChemLite - 477729-28-5 (C26H24N2O5)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C26H24N2O5/c1-19-7-6-10-22(15-19)32-18-25(29)28-27-17-21-11-13-23(24(16-21)31-2)33-26(30)14-12-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3,(H,28,29)/b14-12+,27-17+

InChIKey

UHGURADEZVQQBK-CQDURRFESA-N

Compound name

[2-methoxy-4-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate

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	208.5
[M+Na]+	467.15774	212.3
[M-H]-	443.16124	218.6
[M+NH4]+	462.20234	216.5
[M+K]+	483.13168	208.4
[M+H-H2O]+	427.16578	196.6
[M+HCOO]-	489.16672	233.0
[M+CH3COO]-	503.18237	236.2
[M+Na-2H]-	465.14319	209.6
[M]+	444.16797	212.9
[M]-	444.16907	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.17580

208.5

[M+Na]+

467.15774

212.3

[M-H]-

443.16124

218.6

[M+NH4]+

462.20234

216.5

[M+K]+

483.13168

208.4

[M+H-H2O]+

427.16578

196.6

[M+HCOO]-

489.16672

233.0

[M+CH3COO]-

503.18237

236.2

[M+Na-2H]-

465.14319

209.6

[M]+

444.16797

212.9

[M]-

444.16907

212.9

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

477729-28-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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