2-(((2-(2-(benzyloxy)benzylidene)hydrazino)(oxo)acetyl)amino)-n-phenylbenzamide (C29H24N4O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H24N4O4/c34-27(31-23-14-5-2-6-15-23)24-16-8-9-17-25(24)32-28(35)29(36)33-30-19-22-13-7-10-18-26(22)37-20-21-11-3-1-4-12-21/h1-19H,20H2,(H,31,34)(H,32,35)(H,33,36)/b30-19+

InChIKey

YUAKPZFDUORZNO-NDZAJKAJSA-N

Compound name

N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide

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]+	493.187026	216.9
[M+Na]+	515.168968	217.5
[M-H]-	491.172474	229.2
[M+NH4]+	510.213573	221.2
[M+K]+	531.142908	213.2
[M+H-H2O]+	475.177010	203.6
[M+HCOO]-	537.177951	242.1
[M+CH3COO]-	551.193601	248.5
[M+Na-2H]-	513.154416	220.2
[M]+	492.17920142	215.8
[M]-	492.18029858	215.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.187026

216.9

[M+Na]+

515.168968

217.5

[M-H]-

491.172474

229.2

[M+NH4]+

510.213573

221.2

[M+K]+

531.142908

213.2

[M+H-H2O]+

475.177010

203.6

[M+HCOO]-

537.177951

242.1

[M+CH3COO]-

551.193601

248.5

[M+Na-2H]-

513.154416

220.2

[M]+

492.17920142

215.8

[M]-

492.18029858

215.8

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

2-(((2-(2-(benzyloxy)benzylidene)hydrazino)(oxo)acetyl)amino)-n-phenylbenzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe