CID 4148300

3-(2-(phenoxyacetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula

C₂₂H₁₇ClN₂O₄

SMILES

C1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClN2O4/c23-18-11-9-17(10-12-18)22(27)29-20-8-4-5-16(13-20)14-24-25-21(26)15-28-19-6-2-1-3-7-19/h1-14H,15H2,(H,25,26)

InChIKey

SKBPBCFXKRLELZ-UHFFFAOYSA-N

Compound name

[3-[[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 408.08768 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

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]+	409.094956	195.3
[M+Na]+	431.076898	200.8
[M-H]-	407.080404	205.7
[M+NH4]+	426.121503	205.8
[M+K]+	447.050838	195.8
[M+H-H2O]+	391.084940	185.1
[M+HCOO]-	453.085881	216.5
[M+CH3COO]-	467.101531	225.9
[M+Na-2H]-	429.062346	198.6
[M]+	408.08713142	200.2
[M]-	408.08822858	200.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.