CID 54681

81023-04-3

Structural Information

Molecular Formula
C18H14N2O5
SMILES
COC1=C(C=C2C(=C1)C(OC2=O)N3C4=CC=CC=C4C(=O)C=N3)OC
InChI
InChI=1S/C18H14N2O5/c1-23-15-7-11-12(8-16(15)24-2)18(22)25-17(11)20-13-6-4-3-5-10(13)14(21)9-19-20/h3-9,17H,1-2H3
InChIKey
YFZMMEREHSMKTO-UHFFFAOYSA-N
Compound name
1-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)cinnolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09027 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 176.2
[M+Na]+ 361.07949 192.2
[M+NH4]+ 356.12409 183.2
[M+K]+ 377.05343 187.4
[M-H]- 337.08299 180.6
[M+Na-2H]- 359.06494 181.4
[M]+ 338.08972 179.8
[M]- 338.09082 179.8
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.