CID 3073059

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

Structural Information

Molecular Formula
C15H10INO4
SMILES
C1C2=C(C(C3=C(N2)COC3=O)C4=CC=C(C=C4)I)C(=O)O1
InChI
InChI=1S/C15H10INO4/c16-8-3-1-7(2-4-8)11-12-9(5-20-14(12)18)17-10-6-21-15(19)13(10)11/h1-4,11,17H,5-6H2
InChIKey
RRBCBMFAFWYNTN-UHFFFAOYSA-N
Compound name
8-(4-iodophenyl)-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

394.96545 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.97273 163.6
[M+Na]+ 417.95467 166.5
[M-H]- 393.95817 164.2
[M+NH4]+ 412.99927 175.6
[M+K]+ 433.92861 169.5
[M+H-H2O]+ 377.96271 154.8
[M+HCOO]- 439.96365 175.9
[M+CH3COO]- 453.97930 171.9
[M+Na-2H]- 415.94012 154.7
[M]+ 394.96490 161.7
[M]- 394.96600 161.7
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