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]+ 318.01241 164.6
[M+Na]+ 339.99435 178.5
[M-H]- 315.99785 174.9
[M+NH4]+ 335.03895 183.5
[M+K]+ 355.96829 168.1
[M+H-H2O]+ 300.00239 163.8
[M+HCOO]- 362.00333 186.3
[M+CH3COO]- 376.01898 179.9
[M+Na-2H]- 337.97980 172.3
[M]+ 317.00458 188.4
[M]- 317.00568 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.