PubChemLite - Brn 4217260 (C26H28N6O2)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)N=N/C(=N\NC(=O)CN2CCN(CC2)C3=CC=CC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C26H28N6O2/c1-34-24-14-12-22(13-15-24)27-29-26(21-8-4-2-5-9-21)30-28-25(33)20-31-16-18-32(19-17-31)23-10-6-3-7-11-23/h2-15H,16-20H2,1H3,(H,28,33)/b29-27?,30-26-

InChIKey

ILGWSFSRUNQBOV-XHZMZPOCSA-N

Compound name

N-[(Z)-[[(4-methoxyphenyl)diazenyl]-phenylmethylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

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]+	457.23468	208.3
[M+Na]+	479.21662	208.6
[M-H]-	455.22012	219.9
[M+NH4]+	474.26122	212.8
[M+K]+	495.19056	204.2
[M+H-H2O]+	439.22466	193.2
[M+HCOO]-	501.22560	231.2
[M+CH3COO]-	515.24125	246.4
[M+Na-2H]-	477.20207	212.6
[M]+	456.22685	205.3
[M]-	456.22795	205.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.23468

208.3

[M+Na]+

479.21662

208.6

[M-H]-

455.22012

219.9

[M+NH4]+

474.26122

212.8

[M+K]+

495.19056

204.2

[M+H-H2O]+

439.22466

193.2

[M+HCOO]-

501.22560

231.2

[M+CH3COO]-

515.24125

246.4

[M+Na-2H]-

477.20207

212.6

[M]+

456.22685

205.3

[M]-

456.22795

205.3

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

Brn 4217260

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe