CID 3073061

1h,3h-difuro(3,4-b:3',4'-e)pyridine-1,7(4h)-dione, 5,8-dihydro-8-(2,4-dichlorophenyl)-

Structural Information

Molecular Formula
C15H9Cl2NO4
SMILES
C1C2=C(C(C3=C(N2)COC3=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)O1
InChI
InChI=1S/C15H9Cl2NO4/c16-6-1-2-7(8(17)3-6)11-12-9(4-21-14(12)19)18-10-5-22-15(20)13(10)11/h1-3,11,18H,4-5H2
InChIKey
CJDSFCFGANTOJE-UHFFFAOYSA-N
Compound name
8-(2,4-dichlorophenyl)-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

336.99088 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.99816 168.2
[M+Na]+ 359.98010 182.8
[M+NH4]+ 355.02470 176.6
[M+K]+ 375.95404 179.8
[M-H]- 335.98360 173.2
[M+Na-2H]- 357.96555 170.7
[M]+ 336.99033 172.2
[M]- 336.99143 172.2
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