CID 10404038

Schembl2842325

Structural Information

Molecular Formula

C₁₉H₁₉NO₄

SMILES

CC(C)OC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H19NO4/c1-11(2)23-14-8-9-16-15(10-14)17(19(22)20-3)18(24-16)12-4-6-13(21)7-5-12/h4-11,21H,1-3H3,(H,20,22)

InChIKey

LHKINJAOCQNWFP-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 325.1314 Da
Monoisotopic Mass: 3.7
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]+	326.138676	176.2
[M+Na]+	348.120618	184.6
[M-H]-	324.124124	184.3
[M+NH4]+	343.165223	191.1
[M+K]+	364.094558	182.1
[M+H-H2O]+	308.128660	169.0
[M+HCOO]-	370.129601	198.3
[M+CH3COO]-	384.145251	210.3
[M+Na-2H]-	346.106066	178.6
[M]+	325.13085142	181.4
[M]-	325.13194858	181.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe