CID 322708

Nsc280814

Structural Information

Molecular Formula
C14H11NO3
SMILES
COC1=CC=C(C=C1)C2C3=C(C(=O)O2)N=CC=C3
InChI
InChI=1S/C14H11NO3/c1-17-10-6-4-9(5-7-10)13-11-3-2-8-15-12(11)14(16)18-13/h2-8,13H,1H3
InChIKey
MGMFIAHXYSCLBM-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-5H-furo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0739 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 150.4
[M+Na]+ 264.06312 160.4
[M-H]- 240.06662 158.1
[M+NH4]+ 259.10772 168.3
[M+K]+ 280.03706 158.1
[M+H-H2O]+ 224.07116 143.1
[M+HCOO]- 286.07210 172.6
[M+CH3COO]- 300.08775 164.2
[M+Na-2H]- 262.04857 156.4
[M]+ 241.07335 153.5
[M]- 241.07445 153.5
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

No patent data available for this compound.