CID 16075461

3-(7-bromoimidazo[1,2-a]pyridin-2-yl)chromen-2-one

Structural Information

Molecular Formula
C16H9BrN2O2
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC(=CC4=N3)Br
InChI
InChI=1S/C16H9BrN2O2/c17-11-5-6-19-9-13(18-15(19)8-11)12-7-10-3-1-2-4-14(10)21-16(12)20/h1-9H
InChIKey
AYWAWZORVDFXQL-UHFFFAOYSA-N
Compound name
3-(7-bromoimidazo[1,2-a]pyridin-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.98474 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.99202 168.9
[M+Na]+ 362.97396 184.3
[M-H]- 338.97746 179.3
[M+NH4]+ 358.01856 186.4
[M+K]+ 378.94790 173.1
[M+H-H2O]+ 322.98200 167.5
[M+HCOO]- 384.98294 188.8
[M+CH3COO]- 398.99859 183.8
[M+Na-2H]- 360.95941 177.7
[M]+ 339.98419 191.9
[M]- 339.98529 191.9
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

No patent data available for this compound.