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 163.8
[M+Na]+ 322.06860 173.4
[M-H]- 298.07210 171.9
[M+NH4]+ 317.11320 180.1
[M+K]+ 338.04254 171.3
[M+H-H2O]+ 282.07664 158.5
[M+HCOO]- 344.07758 180.9
[M+CH3COO]- 358.09323 176.2
[M+Na-2H]- 320.05405 165.9
[M]+ 299.07883 166.3
[M]- 299.07993 166.3
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