CID 44145060

71520-01-9

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₈

SMILES

CC(=C)C(=O)OCCOC(=O)NC1=CC=CC=C1NC(=O)OCCOC(=O)C(=C)C

InChI

InChI=1S/C20H24N2O8/c1-13(2)17(23)27-9-11-29-19(25)21-15-7-5-6-8-16(15)22-20(26)30-12-10-28-18(24)14(3)4/h5-8H,1,3,9-12H2,2,4H3,(H,21,25)(H,22,26)

InChIKey

MHCXRJHMCKOMFE-UHFFFAOYSA-N

Compound name

2-[[2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]phenyl]carbamoyloxy]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 420.15326 Da
Monoisotopic Mass: 2.8
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]+	421.160536	196.9
[M+Na]+	443.142478	198.3
[M-H]-	419.145984	199.2
[M+NH4]+	438.187083	205.5
[M+K]+	459.116418	198.8
[M+H-H2O]+	403.150520	188.2
[M+HCOO]-	465.151461	216.8
[M+CH3COO]-	479.167111	229.0
[M+Na-2H]-	441.127926	193.1
[M]+	420.15271142	202.6
[M]-	420.15380858	202.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.