CID 367428

Nsc637148

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC

InChI

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

InChIKey

SIQFBETXJAVNCI-UHFFFAOYSA-N

Compound name

diethyl 2-[(4-phenylphenyl)methylidene]propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 324.13617 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]+	325.143446	177.6
[M+Na]+	347.125388	182.4
[M-H]-	323.128894	183.6
[M+NH4]+	342.169993	191.0
[M+K]+	363.099328	179.3
[M+H-H2O]+	307.133430	169.1
[M+HCOO]-	369.134371	198.4
[M+CH3COO]-	383.150021	207.4
[M+Na-2H]-	345.110836	178.1
[M]+	324.13562142	180.6
[M]-	324.13671858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe