N'-{(e)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(4-benzylpiperazin-1-yl)acetohydrazide (C28H32N4O3)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)/C=N\NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O3/c1-34-27-18-25(12-13-26(27)35-22-24-10-6-3-7-11-24)19-29-30-28(33)21-32-16-14-31(15-17-32)20-23-8-4-2-5-9-23/h2-13,18-19H,14-17,20-22H2,1H3,(H,30,33)/b29-19-

InChIKey

ZMDVGUFWWZCNHO-CEUNXORHSA-N

Compound name

2-(4-benzylpiperazin-1-yl)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]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]+	473.254716	216.0
[M+Na]+	495.236658	216.9
[M-H]-	471.240164	224.9
[M+NH4]+	490.281263	219.4
[M+K]+	511.210598	211.0
[M+H-H2O]+	455.244700	201.3
[M+HCOO]-	517.245641	234.2
[M+CH3COO]-	531.261291	241.9
[M+Na-2H]-	493.222106	217.2
[M]+	472.24689142	214.3
[M]-	472.24798858	214.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.254716

216.0

[M+Na]+

495.236658

216.9

[M-H]-

471.240164

224.9

[M+NH4]+

490.281263

219.4

[M+K]+

511.210598

211.0

[M+H-H2O]+

455.244700

201.3

[M+HCOO]-

517.245641

234.2

[M+CH3COO]-

531.261291

241.9

[M+Na-2H]-

493.222106

217.2

[M]+

472.24689142

214.3

[M]-

472.24798858

214.3

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

N'-{(e)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(4-benzylpiperazin-1-yl)acetohydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe