CID 707887

5-hydroxy-n-methyl-2-phenyl-1-benzofuran-3-carboxamide

Structural Information

Molecular Formula
C16H13NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO3/c1-17-16(19)14-12-9-11(18)7-8-13(12)20-15(14)10-5-3-2-4-6-10/h2-9,18H,1H3,(H,17,19)
InChIKey
KTURDABAZVTNIG-UHFFFAOYSA-N
Compound name
5-hydroxy-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

267.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 158.4
[M+Na]+ 290.07876 167.9
[M-H]- 266.08226 166.7
[M+NH4]+ 285.12336 175.7
[M+K]+ 306.05270 164.7
[M+H-H2O]+ 250.08680 151.8
[M+HCOO]- 312.08774 182.6
[M+CH3COO]- 326.10339 171.8
[M+Na-2H]- 288.06421 164.3
[M]+ 267.08899 161.5
[M]- 267.09009 161.5
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.