CID 51060276

2-methoxy-4-(2-(2-methoxybenzoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula

C₂₃H₁₉ClN₂O₅

SMILES

COC1=CC=CC=C1C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC

InChI

InChI=1S/C23H19ClN2O5/c1-29-19-10-6-4-8-17(19)22(27)26-25-14-15-11-12-20(21(13-15)30-2)31-23(28)16-7-3-5-9-18(16)24/h3-14H,1-2H3,(H,26,27)/b25-14+

InChIKey

BDFFIUFWISKXAR-AFUMVMLFSA-N

Compound name

[2-methoxy-4-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 438.09824 Da
Monoisotopic Mass: 4.8
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]+	439.105516	202.6
[M+Na]+	461.087458	209.3
[M-H]-	437.090964	213.7
[M+NH4]+	456.132063	212.4
[M+K]+	477.061398	205.1
[M+H-H2O]+	421.095500	192.4
[M+HCOO]-	483.096441	223.7
[M+CH3COO]-	497.112091	233.5
[M+Na-2H]-	459.072906	204.2
[M]+	438.09769142	210.1
[M]-	438.09878858	210.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.