PubChemLite - 765910-91-6 (C26H24ClN3O6)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OCC

InChI

InChI=1S/C26H24ClN3O6/c1-3-34-21-12-10-20(11-13-21)29-24(31)25(32)30-28-16-17-5-14-22(23(15-17)35-4-2)36-26(33)18-6-8-19(27)9-7-18/h5-16H,3-4H2,1-2H3,(H,29,31)(H,30,32)/b28-16+

InChIKey

ZDSDQXOMGRXZMJ-LQKURTRISA-N

Compound name

[2-ethoxy-4-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

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]+	510.14266	220.8
[M+Na]+	532.12460	224.9
[M-H]-	508.12810	231.4
[M+NH4]+	527.16920	227.1
[M+K]+	548.09854	221.5
[M+H-H2O]+	492.13264	209.8
[M+HCOO]-	554.13358	241.2
[M+CH3COO]-	568.14923	248.6
[M+Na-2H]-	530.11005	220.7
[M]+	509.13483	228.6
[M]-	509.13593	228.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.14266

220.8

[M+Na]+

532.12460

224.9

[M-H]-

508.12810

231.4

[M+NH4]+

527.16920

227.1

[M+K]+

548.09854

221.5

[M+H-H2O]+

492.13264

209.8

[M+HCOO]-

554.13358

241.2

[M+CH3COO]-

568.14923

248.6

[M+Na-2H]-

530.11005

220.7

[M]+

509.13483

228.6

[M]-

509.13593

228.6

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

765910-91-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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