CID 3073057

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

Structural Information

Molecular Formula
C15H10BrNO4
SMILES
C1C2=C(C(C3=C(N2)COC3=O)C4=CC(=CC=C4)Br)C(=O)O1
InChI
InChI=1S/C15H10BrNO4/c16-8-3-1-2-7(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
QZXLLLLUYQEYFC-UHFFFAOYSA-N
Compound name
8-(3-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 173.7
[M+Na]+ 369.96852 186.2
[M-H]- 345.97202 184.0
[M+NH4]+ 365.01312 191.8
[M+K]+ 385.94246 176.7
[M+H-H2O]+ 329.97656 174.9
[M+HCOO]- 391.97750 188.8
[M+CH3COO]- 405.99315 187.3
[M+Na-2H]- 367.95397 176.4
[M]+ 346.97875 192.7
[M]- 346.97985 192.7
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