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

20
Patents

267.08954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.096816 158.4
[M+Na]+ 290.078758 167.9
[M-H]- 266.082264 166.7
[M+NH4]+ 285.123363 175.7
[M+K]+ 306.052698 164.7
[M+H-H2O]+ 250.086800 151.8
[M+HCOO]- 312.087741 182.6
[M+CH3COO]- 326.103391 171.8
[M+Na-2H]- 288.064206 164.3
[M]+ 267.08899142 161.5
[M]- 267.09008858 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

patents stripe