CID 10445822

Schembl2840982

Structural Information

Molecular Formula
C15H11FN2O2
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)F)C3=CC=NC=C3
InChI
InChI=1S/C15H11FN2O2/c1-17-15(19)13-11-8-10(16)2-3-12(11)20-14(13)9-4-6-18-7-5-9/h2-8H,1H3,(H,17,19)
InChIKey
CZQFJDMOZXXNRD-UHFFFAOYSA-N
Compound name
5-fluoro-N-methyl-2-pyridin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.08044 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08772 158.0
[M+Na]+ 293.06966 168.6
[M-H]- 269.07316 164.9
[M+NH4]+ 288.11426 174.5
[M+K]+ 309.04360 165.0
[M+H-H2O]+ 253.07770 149.4
[M+HCOO]- 315.07864 181.5
[M+CH3COO]- 329.09429 171.2
[M+Na-2H]- 291.05511 164.1
[M]+ 270.07989 160.6
[M]- 270.08099 160.6
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