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]+ 300.086656 163.8
[M+Na]+ 322.068598 173.4
[M-H]- 298.072104 171.9
[M+NH4]+ 317.113203 180.1
[M+K]+ 338.042538 171.3
[M+H-H2O]+ 282.076640 158.5
[M+HCOO]- 344.077581 180.9
[M+CH3COO]- 358.093231 176.2
[M+Na-2H]- 320.054046 165.9
[M]+ 299.07883142 166.3
[M]- 299.07992858 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