CID 10378725

5-cyano-2-phenyl-benzofuran-3-carboxylic acid methylamide

Structural Information

Molecular Formula
C17H12N2O2
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)C#N)C3=CC=CC=C3
InChI
InChI=1S/C17H12N2O2/c1-19-17(20)15-13-9-11(10-18)7-8-14(13)21-16(15)12-5-3-2-4-6-12/h2-9H,1H3,(H,19,20)
InChIKey
ZRJPGUSCWPLKHI-UHFFFAOYSA-N
Compound name
5-cyano-N-methyl-2-phenyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

276.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09715 170.2
[M+Na]+ 299.07909 182.3
[M-H]- 275.08259 177.2
[M+NH4]+ 294.12369 185.6
[M+K]+ 315.05303 175.9
[M+H-H2O]+ 259.08713 156.2
[M+HCOO]- 321.08807 191.0
[M+CH3COO]- 335.10372 181.4
[M+Na-2H]- 297.06454 174.4
[M]+ 276.08932 167.9
[M]- 276.09042 167.9
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