CID 3073058

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

Structural Information

Molecular Formula
C15H10BrNO4
SMILES
C1C2=C(C(C3=C(N2)COC3=O)C4=CC=C(C=C4)Br)C(=O)O1
InChI
InChI=1S/C15H10BrNO4/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
ISAAROIPJLPBIT-UHFFFAOYSA-N
Compound name
8-(4-bromophenyl)-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

346.9793 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.98658 174.9
[M+Na]+ 369.96852 177.9
[M+NH4]+ 365.01312 179.0
[M+K]+ 385.94246 181.4
[M-H]- 345.97202 177.8
[M+Na-2H]- 367.95397 173.7
[M]+ 346.97875 174.9
[M]- 346.97985 174.9
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