CID 401567

2-(4-methoxybenzyl)benzo[d]oxazole

Structural Information

Molecular Formula
C15H13NO2
SMILES
COC1=CC=C(C=C1)CC2=NC3=CC=CC=C3O2
InChI
InChI=1S/C15H13NO2/c1-17-12-8-6-11(7-9-12)10-15-16-13-4-2-3-5-14(13)18-15/h2-9H,10H2,1H3
InChIKey
GWYNJXSRJPAUCL-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

239.09464 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 151.0
[M+Na]+ 262.083858 161.6
[M-H]- 238.087364 158.8
[M+NH4]+ 257.128463 169.0
[M+K]+ 278.057798 158.6
[M+H-H2O]+ 222.091900 143.4
[M+HCOO]- 284.092841 175.3
[M+CH3COO]- 298.108491 165.2
[M+Na-2H]- 260.069306 159.0
[M]+ 239.09409142 156.1
[M]- 239.09518858 156.1
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.