CID 401587

2-(2-methoxyphenyl)-6-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C15H13NO2
SMILES
CC1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3OC
InChI
InChI=1S/C15H13NO2/c1-10-7-8-12-14(9-10)18-15(16-12)11-5-3-4-6-13(11)17-2/h3-9H,1-2H3
InChIKey
OPGQRMYQBSPFMU-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-6-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.09464 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 151.1
[M+Na]+ 262.083858 162.7
[M-H]- 238.087364 159.4
[M+NH4]+ 257.128463 169.5
[M+K]+ 278.057798 159.7
[M+H-H2O]+ 222.091900 143.8
[M+HCOO]- 284.092841 175.5
[M+CH3COO]- 298.108491 165.7
[M+Na-2H]- 260.069306 158.5
[M]+ 239.09409142 156.7
[M]- 239.09518858 156.7
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.