CID 44258

Eterilate

Structural Information

Molecular Formula

C₁₉H₁₉NO₆

SMILES

CC(=O)NC1=CC=C(C=C1)OCCOC(=O)C2=CC=CC=C2OC(=O)C

InChI

InChI=1S/C19H19NO6/c1-13(21)20-15-7-9-16(10-8-15)24-11-12-25-19(23)17-5-3-4-6-18(17)26-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,21)

InChIKey

PXBFSRVXEKCBFP-UHFFFAOYSA-N

Compound name

2-(4-acetamidophenoxy)ethyl 2-acetyloxybenzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 3302
Patents: 357.12125 Da
Monoisotopic Mass: 2.3
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]+	358.128526	182.0
[M+Na]+	380.110468	186.7
[M-H]-	356.113974	188.3
[M+NH4]+	375.155073	193.7
[M+K]+	396.084408	185.5
[M+H-H2O]+	340.118510	172.9
[M+HCOO]-	402.119451	204.4
[M+CH3COO]-	416.135101	215.1
[M+Na-2H]-	378.095916	183.0
[M]+	357.12070142	187.1
[M]-	357.12179858	187.1

Literature stripe

literature stripe

Patent stripe

patents stripe