CID 482239

2-(2-methoxyphenyl)-5-methylbenzo[d]oxazole

Structural Information

Molecular Formula
C15H13NO2
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3OC
InChI
InChI=1S/C15H13NO2/c1-10-7-8-14-12(9-10)16-15(18-14)11-5-3-4-6-13(11)17-2/h3-9H,1-2H3
InChIKey
XWYGZQSGNQEHLA-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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

patents stripe