PubChemLite - 302918-59-8 (C26H24N4O4)

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C=C1)OC)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4/c1-32-22-12-13-25(33-2)20(14-22)16-27-30-26(31)24-15-23(28-29-24)19-8-10-21(11-9-19)34-17-18-6-4-3-5-7-18/h3-16H,17H2,1-2H3,(H,28,29)(H,30,31)/b27-16+

InChIKey

SSNXDBRHYALUMU-JVWAILMASA-N

Compound name

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide

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]+	457.18703	208.3
[M+Na]+	479.16897	213.1
[M-H]-	455.17247	218.6
[M+NH4]+	474.21357	214.2
[M+K]+	495.14291	207.6
[M+H-H2O]+	439.17701	195.5
[M+HCOO]-	501.17795	231.1
[M+CH3COO]-	515.19360	235.9
[M+Na-2H]-	477.15442	209.8
[M]+	456.17920	211.3
[M]-	456.18030	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.18703

208.3

[M+Na]+

479.16897

213.1

[M-H]-

455.17247

218.6

[M+NH4]+

474.21357

214.2

[M+K]+

495.14291

207.6

[M+H-H2O]+

439.17701

195.5

[M+HCOO]-

501.17795

231.1

[M+CH3COO]-

515.19360

235.9

[M+Na-2H]-

477.15442

209.8

[M]+

456.17920

211.3

[M]-

456.18030

211.3

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

302918-59-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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