CID 5385393

Nsc 404232

Structural Information

Molecular Formula

C₂₀H₂₀O₆

SMILES

C1=CC=C(C=C1)OCCOC(=O)/C=C\C(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C20H20O6/c21-19(25-15-13-23-17-7-3-1-4-8-17)11-12-20(22)26-16-14-24-18-9-5-2-6-10-18/h1-12H,13-16H2/b12-11-

InChIKey

HRYREZUFSWGBTI-QXMHVHEDSA-N

Compound name

bis(2-phenoxyethyl) (Z)-but-2-enedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 356.12598 Da
Monoisotopic Mass: 3.5
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]+	357.133256	183.8
[M+Na]+	379.115198	187.5
[M-H]-	355.118704	189.2
[M+NH4]+	374.159803	195.4
[M+K]+	395.089138	185.2
[M+H-H2O]+	339.123240	174.3
[M+HCOO]-	401.124181	205.9
[M+CH3COO]-	415.139831	209.5
[M+Na-2H]-	377.100646	186.3
[M]+	356.12543142	189.8
[M]-	356.12652858	189.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe