CID 70388369

Dibenzyl ethoxymethylenemalonate

Structural Information

Molecular Formula

C₂₀H₂₀O₅

SMILES

CCOC=C(C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H20O5/c1-2-23-15-18(19(21)24-13-16-9-5-3-6-10-16)20(22)25-14-17-11-7-4-8-12-17/h3-12,15H,2,13-14H2,1H3

InChIKey

CAWVNWVFAVJLIL-UHFFFAOYSA-N

Compound name

dibenzyl 2-(ethoxymethylidene)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 340.13107 Da
Monoisotopic Mass: 3.7
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]+	341.138346	181.3
[M+Na]+	363.120288	185.0
[M-H]-	339.123794	186.8
[M+NH4]+	358.164893	193.6
[M+K]+	379.094228	182.5
[M+H-H2O]+	323.128330	172.3
[M+HCOO]-	385.129271	202.2
[M+CH3COO]-	399.144921	208.2
[M+Na-2H]-	361.105736	182.5
[M]+	340.13052142	185.3
[M]-	340.13161858	185.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe