CID 90621

Diethyl (diphenylmethylene)malonate

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C20H20O4/c1-3-23-19(21)18(20(22)24-4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3

InChIKey

SCJORYSROIFVSH-UHFFFAOYSA-N

Compound name

diethyl 2-benzhydrylidenepropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 324.13617 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]+	325.143446	178.1
[M+Na]+	347.125388	181.7
[M-H]-	323.128894	183.7
[M+NH4]+	342.169993	191.1
[M+K]+	363.099328	179.0
[M+H-H2O]+	307.133430	169.5
[M+HCOO]-	369.134371	197.8
[M+CH3COO]-	383.150021	207.1
[M+Na-2H]-	345.110836	178.1
[M]+	324.13562142	180.1
[M]-	324.13671858	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe