CID 483837

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

Structural Information

Molecular Formula
C14H11NO2
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C14H11NO2/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
InChIKey
RAPOAMGKAJWGHU-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

96
Patents

225.07898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 146.2
[M+Na]+ 248.06820 157.2
[M-H]- 224.07170 154.2
[M+NH4]+ 243.11280 164.8
[M+K]+ 264.04214 154.5
[M+H-H2O]+ 208.07624 138.8
[M+HCOO]- 270.07718 170.9
[M+CH3COO]- 284.09283 160.8
[M+Na-2H]- 246.05365 154.8
[M]+ 225.07843 151.0
[M]- 225.07953 151.0
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