CID 170916123

2-(2-bromo-1,3-oxazol-5-yl)quinoline

Structural Information

Molecular Formula
C12H7BrN2O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=CN=C(O3)Br
InChI
InChI=1S/C12H7BrN2O/c13-12-14-7-11(16-12)10-6-5-8-3-1-2-4-9(8)15-10/h1-7H
InChIKey
HCQMYIRGPNRBSV-UHFFFAOYSA-N
Compound name
2-bromo-5-quinolin-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.97418 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.981456 150.4
[M+Na]+ 296.963398 165.0
[M-H]- 272.966904 159.6
[M+NH4]+ 292.008003 169.5
[M+K]+ 312.937338 154.5
[M+H-H2O]+ 256.971440 149.6
[M+HCOO]- 318.972381 171.9
[M+CH3COO]- 332.988031 166.2
[M+Na-2H]- 294.948846 160.5
[M]+ 273.97363142 172.2
[M]- 273.97472858 172.2
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.