CID 43247

N-furfuryl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula

C₁₅H₁₇NO₅

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C15H17NO5/c1-18-12-7-10(8-13(19-2)14(12)20-3)15(17)16-9-11-5-4-6-21-11/h4-8H,9H2,1-3H3,(H,16,17)

InChIKey

PEUKYEPLCRXPHU-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 17
Patents: 291.1107 Da
Monoisotopic Mass: 1.7
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]+	292.11798	165.9
[M+Na]+	314.09992	177.1
[M+NH4]+	309.14452	172.2
[M+K]+	330.07386	174.2
[M-H]-	290.10342	169.8
[M+Na-2H]-	312.08537	171.2
[M]+	291.11015	168.4
[M]-	291.11125	168.4

Literature stripe

literature stripe

Patent stripe

patents stripe