CID 135566325

4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol

Structural Information

Molecular Formula
C15H13NO2
SMILES
CC1=CC(=CC(=C1O)C)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C15H13NO2/c1-9-7-11(8-10(2)14(9)17)15-16-12-5-3-4-6-13(12)18-15/h3-8,17H,1-2H3
InChIKey
NORYHCMDDBZXDX-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

9
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 151.6
[M+Na]+ 262.08386 163.6
[M-H]- 238.08736 158.9
[M+NH4]+ 257.12846 169.6
[M+K]+ 278.05780 159.8
[M+H-H2O]+ 222.09190 144.8
[M+HCOO]- 284.09284 174.4
[M+CH3COO]- 298.10849 165.8
[M+Na-2H]- 260.06931 157.8
[M]+ 239.09409 155.8
[M]- 239.09519 155.8
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