CID 16073225

Schembl2844244

Structural Information

Molecular Formula

C₁₈H₁₉NO₄

SMILES

CC1=C(OC=C1)C2=C(C3=C(O2)C=CC(=C3)OC(C)C)C(=O)NC

InChI

InChI=1S/C18H19NO4/c1-10(2)22-12-5-6-14-13(9-12)15(18(20)19-4)17(23-14)16-11(3)7-8-21-16/h5-10H,1-4H3,(H,19,20)

InChIKey

YPZCHKCZNZGEEU-UHFFFAOYSA-N

Compound name

N-methyl-2-(3-methylfuran-2-yl)-5-propan-2-yloxy-1-benzofuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 313.1314 Da
Monoisotopic Mass: 3.5
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]+	314.138676	174.3
[M+Na]+	336.120618	183.6
[M-H]-	312.124124	184.8
[M+NH4]+	331.165223	191.1
[M+K]+	352.094558	183.1
[M+H-H2O]+	296.128660	168.8
[M+HCOO]-	358.129601	198.2
[M+CH3COO]-	372.145251	209.9
[M+Na-2H]-	334.106066	175.9
[M]+	313.13085142	182.5
[M]-	313.13194858	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe