CID 10040052

Schembl2835760

Structural Information

Molecular Formula

C₁₉H₁₉NO₂

SMILES

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

InChI

InChI=1S/C19H19NO2/c1-12(2)14-9-10-16-15(11-14)17(19(21)20-3)18(22-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,21)

InChIKey

ULGHUXFEAANPDN-UHFFFAOYSA-N

Compound name

N-methyl-2-phenyl-5-propan-2-yl-1-benzofuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 293.14157 Da
Monoisotopic Mass: 4.4
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]+	294.148846	170.1
[M+Na]+	316.130788	178.5
[M-H]-	292.134294	179.2
[M+NH4]+	311.175393	187.0
[M+K]+	332.104728	175.3
[M+H-H2O]+	276.138830	162.9
[M+HCOO]-	338.139771	193.5
[M+CH3COO]-	352.155421	207.0
[M+Na-2H]-	314.116236	173.4
[M]+	293.14102142	173.8
[M]-	293.14211858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe