CID 11640358

6-bromo-3-(6-bromoimidazo[1,2-a]pyridin-2-yl)chromen-2-one

Structural Information

Molecular Formula
C16H8Br2N2O2
SMILES
C1=CC2=C(C=C1Br)C=C(C(=O)O2)C3=CN4C=C(C=CC4=N3)Br
InChI
InChI=1S/C16H8Br2N2O2/c17-10-1-3-14-9(5-10)6-12(16(21)22-14)13-8-20-7-11(18)2-4-15(20)19-13/h1-8H
InChIKey
IMRMZTVHWUTXPB-UHFFFAOYSA-N
Compound name
6-bromo-3-(6-bromoimidazo[1,2-a]pyridin-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.89526 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.90254 167.3
[M+Na]+ 440.88448 180.7
[M-H]- 416.88798 177.4
[M+NH4]+ 435.92908 182.8
[M+K]+ 456.85842 167.3
[M+H-H2O]+ 400.89252 175.1
[M+HCOO]- 462.89346 182.2
[M+CH3COO]- 476.90911 181.0
[M+Na-2H]- 438.86993 174.7
[M]+ 417.89471 205.1
[M]- 417.89581 205.1
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

No patent data available for this compound.