CID 9994645

Schembl2836473

Structural Information

Molecular Formula

C₁₈H₁₇NO₃

SMILES

CC1=CC2=C(C=C1OC)C(=C(O2)C3=CC=CC=C3)C(=O)NC

InChI

InChI=1S/C18H17NO3/c1-11-9-15-13(10-14(11)21-3)16(18(20)19-2)17(22-15)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,20)

InChIKey

QADPDROHBRYHPG-UHFFFAOYSA-N

Compound name

5-methoxy-N,6-dimethyl-2-phenyl-1-benzofuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 295.12085 Da
Monoisotopic Mass: 3.6
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]+	296.128126	168.0
[M+Na]+	318.110068	178.0
[M-H]-	294.113574	177.7
[M+NH4]+	313.154673	185.1
[M+K]+	334.084008	175.1
[M+H-H2O]+	278.118110	160.9
[M+HCOO]-	340.119051	192.9
[M+CH3COO]-	354.134701	206.5
[M+Na-2H]-	316.095516	172.5
[M]+	295.12030142	173.9
[M]-	295.12139858	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe