CID 4914922

N-benzyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-11-16(14-9-13(19)7-8-15(14)21-11)17(20)18-10-12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H,18,20)
InChIKey
ZNNNVWNONCUWGA-UHFFFAOYSA-N
Compound name
N-benzyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.112476 163.2
[M+Na]+ 304.094418 172.2
[M-H]- 280.097924 171.3
[M+NH4]+ 299.139023 179.9
[M+K]+ 320.068358 168.8
[M+H-H2O]+ 264.102460 156.3
[M+HCOO]- 326.103401 187.0
[M+CH3COO]- 340.119051 199.9
[M+Na-2H]- 302.079866 168.5
[M]+ 281.10465142 166.5
[M]- 281.10574858 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.