CID 378988

Nsc662580

Structural Information

Molecular Formula
C14H13NO2
SMILES
CCC1=CC2=C(C(=O)N1)OC3=C2C=CC(=C3)C
InChI
InChI=1S/C14H13NO2/c1-3-9-7-11-10-5-4-8(2)6-12(10)17-13(11)14(16)15-9/h4-7H,3H2,1-2H3,(H,15,16)
InChIKey
LORHUJCIQIHRLW-UHFFFAOYSA-N
Compound name
3-ethyl-7-methyl-2H-[1]benzofuro[2,3-c]pyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 147.6
[M+Na]+ 250.08386 160.4
[M-H]- 226.08736 152.6
[M+NH4]+ 245.12846 167.4
[M+K]+ 266.05780 156.1
[M+H-H2O]+ 210.09190 141.7
[M+HCOO]- 272.09284 169.3
[M+CH3COO]- 286.10849 161.9
[M+Na-2H]- 248.06931 155.0
[M]+ 227.09409 152.1
[M]- 227.09519 152.1
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.