CID 3073060

1h,3h-difuro(3,4-b:3',4'-e)pyridine-1,7(4h)-dione, 5,8-dihydro-8-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C16H13NO5
SMILES
COC1=CC=C(C=C1)C2C3=C(COC3=O)NC4=C2C(=O)OC4
InChI
InChI=1S/C16H13NO5/c1-20-9-4-2-8(3-5-9)12-13-10(6-21-15(13)18)17-11-7-22-16(19)14(11)12/h2-5,12,17H,6-7H2,1H3
InChIKey
IOIMCKGOVJVZIK-UHFFFAOYSA-N
Compound name
8-(4-methoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

299.07938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 164.9
[M+Na]+ 322.06860 177.1
[M+NH4]+ 317.11320 172.2
[M+K]+ 338.04254 176.0
[M-H]- 298.07210 169.5
[M+Na-2H]- 320.05405 166.7
[M]+ 299.07883 167.7
[M]- 299.07993 167.7
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