CID 9970943

Schembl2840094

Structural Information

Molecular Formula
C17H15NO3
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)CO)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO3/c1-18-17(20)15-13-9-11(10-19)7-8-14(13)21-16(15)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H,18,20)
InChIKey
NKVYQPNYLZJIST-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

281.1052 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.2
[M+Na]+ 304.09442 172.2
[M-H]- 280.09792 171.3
[M+NH4]+ 299.13902 179.9
[M+K]+ 320.06836 168.8
[M+H-H2O]+ 264.10246 156.3
[M+HCOO]- 326.10340 187.0
[M+CH3COO]- 340.11905 199.9
[M+Na-2H]- 302.07987 168.5
[M]+ 281.10465 166.5
[M]- 281.10575 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

patents stripe