CID 336937

72193-13-6

Structural Information

Molecular Formula
C16H9BrN2O3
SMILES
CC1=CC(=O)C2=CC3=C(C(=C2O1)Br)OC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C16H9BrN2O3/c1-8-5-12(20)10-6-11-15(13(17)14(10)21-8)22-16(19-11)9-3-2-4-18-7-9/h2-7H,1H3
InChIKey
VUFLUHDSNKDKFO-UHFFFAOYSA-N
Compound name
4-bromo-6-methyl-2-pyridin-3-ylpyrano[3,2-f][1,3]benzoxazol-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.97964 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.98692 173.2
[M+Na]+ 378.96886 189.4
[M-H]- 354.97236 184.5
[M+NH4]+ 374.01346 189.0
[M+K]+ 394.94280 179.8
[M+H-H2O]+ 338.97690 171.9
[M+HCOO]- 400.97784 192.3
[M+CH3COO]- 414.99349 188.2
[M+Na-2H]- 376.95431 181.5
[M]+ 355.97909 198.4
[M]- 355.98019 198.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.