CID 64158301

5-(bromomethyl)-3-(2-methoxynaphthalen-1-yl)-1,2-oxazole

Structural Information

Molecular Formula
C15H12BrNO2
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3=NOC(=C3)CBr
InChI
InChI=1S/C15H12BrNO2/c1-18-14-7-6-10-4-2-3-5-12(10)15(14)13-8-11(9-16)19-17-13/h2-8H,9H2,1H3
InChIKey
SCCIEJULFOJNNS-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-(2-methoxynaphthalen-1-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.00513 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.012406 164.6
[M+Na]+ 339.994348 178.5
[M-H]- 315.997854 174.9
[M+NH4]+ 335.038953 183.5
[M+K]+ 355.968288 168.1
[M+H-H2O]+ 300.002390 163.8
[M+HCOO]- 362.003331 186.3
[M+CH3COO]- 376.018981 179.9
[M+Na-2H]- 337.979796 172.3
[M]+ 317.00458142 188.4
[M]- 317.00567858 188.4
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.