CID 2814720

Maybridge3_002758

Structural Information

Molecular Formula

C₁₅H₁₅NO₅

SMILES

CC(=O)NC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C15H15NO5/c1-10(17)16-11-3-5-12(6-4-11)20-9-13-7-8-14(21-13)15(18)19-2/h3-8H,9H2,1-2H3,(H,16,17)

InChIKey

HXMASFOMCDHEIE-UHFFFAOYSA-N

Compound name

methyl 5-[(4-acetamidophenoxy)methyl]furan-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 289.09503 Da
Monoisotopic Mass: 1.9
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]+	290.102306	164.7
[M+Na]+	312.084248	171.4
[M-H]-	288.087754	172.5
[M+NH4]+	307.128853	180.2
[M+K]+	328.058188	171.2
[M+H-H2O]+	272.092290	157.4
[M+HCOO]-	334.093231	189.1
[M+CH3COO]-	348.108881	201.4
[M+Na-2H]-	310.069696	167.4
[M]+	289.09448142	169.9
[M]-	289.09557858	169.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.