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

2
Patents

239.09464 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 151.1
[M+Na]+ 262.08386 162.7
[M-H]- 238.08736 159.4
[M+NH4]+ 257.12846 169.5
[M+K]+ 278.05780 159.7
[M+H-H2O]+ 222.09190 143.8
[M+HCOO]- 284.09284 175.5
[M+CH3COO]- 298.10849 165.7
[M+Na-2H]- 260.06931 158.5
[M]+ 239.09409 156.7
[M]- 239.09519 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.