CID 3067530

81718-73-2

Structural Information

Molecular Formula

C₁₃H₁₅NO₃

SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)N(C)C

InChI

InChI=1S/C13H15NO3/c1-8-10-7-9(16-4)5-6-11(10)17-12(8)13(15)14(2)3/h5-7H,1-4H3

InChIKey

GYZLHRMOLXESCF-UHFFFAOYSA-N

Compound name

5-methoxy-N,N,3-trimethyl-1-benzofuran-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.1052 Da
Monoisotopic Mass: 2.5
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]+	234.11248	150.5
[M+Na]+	256.09442	160.6
[M-H]-	232.09792	158.3
[M+NH4]+	251.13902	171.1
[M+K]+	272.06836	160.7
[M+H-H2O]+	216.10246	144.7
[M+HCOO]-	278.10340	176.2
[M+CH3COO]-	292.11905	197.8
[M+Na-2H]-	254.07987	155.5
[M]+	233.10465	158.0
[M]-	233.10575	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe