CID 646279

5-hydroxy-n,n-dimethyl-2-phenyl-1-benzofuran-3-carboxamide

Structural Information

Molecular Formula
C17H15NO3
SMILES
CN(C)C(=O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-18(2)17(20)15-13-10-12(19)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKey
QZYYHSYJKIKPCM-UHFFFAOYSA-N
Compound name
5-hydroxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
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 163.5
[M+Na]+ 304.094418 172.7
[M-H]- 280.097924 173.1
[M+NH4]+ 299.139023 180.8
[M+K]+ 320.068358 170.6
[M+H-H2O]+ 264.102460 156.5
[M+HCOO]- 326.103401 187.8
[M+CH3COO]- 340.119051 203.2
[M+Na-2H]- 302.079866 168.1
[M]+ 281.10465142 168.1
[M]- 281.10574858 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.