764687-90-3 (C26H25N3O6)

Structural Information

Molecular Formula

SMILES

CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C26H25N3O6/c1-4-17-5-10-20(11-6-17)28-24(30)25(31)29-27-16-18-7-14-22(23(15-18)34-3)35-26(32)19-8-12-21(33-2)13-9-19/h5-16H,4H2,1-3H3,(H,28,30)(H,29,31)/b27-16+

InChIKey

MLFCLCBAMLNCRZ-JVWAILMASA-N

Compound name

[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate

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]+	476.181626	214.5
[M+Na]+	498.163568	217.6
[M-H]-	474.167074	225.0
[M+NH4]+	493.208173	221.0
[M+K]+	514.137508	215.7
[M+H-H2O]+	458.171610	202.4
[M+HCOO]-	520.172551	239.1
[M+CH3COO]-	534.188201	245.4
[M+Na-2H]-	496.149016	214.6
[M]+	475.17380142	219.4
[M]-	475.17489858	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.181626

214.5

[M+Na]+

498.163568

217.6

[M-H]-

474.167074

225.0

[M+NH4]+

493.208173

221.0

[M+K]+

514.137508

215.7

[M+H-H2O]+

458.171610

202.4

[M+HCOO]-

520.172551

239.1

[M+CH3COO]-

534.188201

245.4

[M+Na-2H]-

496.149016

214.6

[M]+

475.17380142

219.4

[M]-

475.17489858

219.4

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

764687-90-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe