PubChemLite - Brn 4217284 (C26H28N6O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1N=N/C(=N/NC(=O)CN2CCN(CC2)C3=CC=CC=C3)/C4=CC=CC=C4O

InChI

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

InChIKey

RLQYVRLLYQBFFL-LIIRDZCQSA-N

Compound name

N-[(E)-[(2-hydroxyphenyl)-[(2-methylphenyl)diazenyl]methylidene]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	209.1
[M+Na]+	479.21662	210.0
[M-H]-	455.22012	219.9
[M+NH4]+	474.26122	213.4
[M+K]+	495.19056	205.0
[M+H-H2O]+	439.22466	194.7
[M+HCOO]-	501.22560	230.7
[M+CH3COO]-	515.24125	245.6
[M+Na-2H]-	477.20207	212.4
[M]+	456.22685	204.9
[M]-	456.22795	204.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.23468

209.1

[M+Na]+

479.21662

210.0

[M-H]-

455.22012

219.9

[M+NH4]+

474.26122

213.4

[M+K]+

495.19056

205.0

[M+H-H2O]+

439.22466

194.7

[M+HCOO]-

501.22560

230.7

[M+CH3COO]-

515.24125

245.6

[M+Na-2H]-

477.20207

212.4

[M]+

456.22685

204.9

[M]-

456.22795

204.9

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

Brn 4217284

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe