302918-65-6 (C26H24N4O4)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

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

InChIKey

WTPSCKJAWWAZPT-JVWAILMASA-N

Compound name

N-[(E)-(3-ethoxy-4-hydroxyphenyl)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]+	457.187026	207.6
[M+Na]+	479.168968	211.9
[M-H]-	455.172474	216.6
[M+NH4]+	474.213573	212.8
[M+K]+	495.142908	205.6
[M+H-H2O]+	439.177010	195.1
[M+HCOO]-	501.177951	228.9
[M+CH3COO]-	515.193601	233.9
[M+Na-2H]-	477.154416	208.8
[M]+	456.17920142	208.8
[M]-	456.18029858	208.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.187026

207.6

[M+Na]+

479.168968

211.9

[M-H]-

455.172474

216.6

[M+NH4]+

474.213573

212.8

[M+K]+

495.142908

205.6

[M+H-H2O]+

439.177010

195.1

[M+HCOO]-

501.177951

228.9

[M+CH3COO]-

515.193601

233.9

[M+Na-2H]-

477.154416

208.8

[M]+

456.17920142

208.8

[M]-

456.18029858

208.8

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

302918-65-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe