2-methoxy-4-(2-(((4-methylbenzoyl)amino)acetyl)carbohydrazonoyl)phenyl benzoate (C25H23N3O5)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H23N3O5/c1-17-8-11-19(12-9-17)24(30)26-16-23(29)28-27-15-18-10-13-21(22(14-18)32-2)33-25(31)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,26,30)(H,28,29)/b27-15+

InChIKey

AUVZCOIWKTWOEV-JFLMPSFJSA-N

Compound name

[2-methoxy-4-[(E)-[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate

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]+	446.171036	207.0
[M+Na]+	468.152978	210.0
[M-H]-	444.156484	217.4
[M+NH4]+	463.197583	214.6
[M+K]+	484.126918	207.2
[M+H-H2O]+	428.161020	195.3
[M+HCOO]-	490.161961	231.9
[M+CH3COO]-	504.177611	239.6
[M+Na-2H]-	466.138426	208.3
[M]+	445.16321142	210.0
[M]-	445.16430858	210.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.171036

207.0

[M+Na]+

468.152978

210.0

[M-H]-

444.156484

217.4

[M+NH4]+

463.197583

214.6

[M+K]+

484.126918

207.2

[M+H-H2O]+

428.161020

195.3

[M+HCOO]-

490.161961

231.9

[M+CH3COO]-

504.177611

239.6

[M+Na-2H]-

466.138426

208.3

[M]+

445.16321142

210.0

[M]-

445.16430858

210.0

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

2-methoxy-4-(2-(((4-methylbenzoyl)amino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe