PubChemLite - Brn 4217833 (C25H25ClN6O2)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1CC(=O)N/N=C(/C2=CC=CC=C2O)\N=NC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H25ClN6O2/c26-21-11-5-6-12-22(21)27-29-25(20-10-4-7-13-23(20)33)30-28-24(34)18-31-14-16-32(17-15-31)19-8-2-1-3-9-19/h1-13,33H,14-18H2,(H,28,34)/b29-27?,30-25-

InChIKey

OQHRRNSRQVXPBJ-FTGRWOICSA-N

Compound name

N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)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]+	477.18004	212.7
[M+Na]+	499.16198	214.8
[M-H]-	475.16548	223.3
[M+NH4]+	494.20658	217.1
[M+K]+	515.13592	208.6
[M+H-H2O]+	459.17002	198.8
[M+HCOO]-	521.17096	230.1
[M+CH3COO]-	535.18661	218.9
[M+Na-2H]-	497.14743	215.8
[M]+	476.17221	210.8
[M]-	476.17331	210.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.18004

212.7

[M+Na]+

499.16198

214.8

[M-H]-

475.16548

223.3

[M+NH4]+

494.20658

217.1

[M+K]+

515.13592

208.6

[M+H-H2O]+

459.17002

198.8

[M+HCOO]-

521.17096

230.1

[M+CH3COO]-

535.18661

218.9

[M+Na-2H]-

497.14743

215.8

[M]+

476.17221

210.8

[M]-

476.17331

210.8

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

Brn 4217833

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe