CID 4415365

35875-76-4

Structural Information

Molecular Formula
C14H11NO2
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3O
InChI
InChI=1S/C14H11NO2/c1-9-6-7-13-11(8-9)15-14(17-13)10-4-2-3-5-12(10)16/h2-8,16H,1H3
InChIKey
FZQGBQAOJPVIOS-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3-benzoxazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

225.07898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.086256 146.6
[M+Na]+ 248.068198 158.2
[M-H]- 224.071704 153.7
[M+NH4]+ 243.112803 164.9
[M+K]+ 264.042138 154.6
[M+H-H2O]+ 208.076240 139.8
[M+HCOO]- 270.077181 169.8
[M+CH3COO]- 284.092831 161.0
[M+Na-2H]- 246.053646 154.2
[M]+ 225.07843142 150.1
[M]- 225.07952858 150.1
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

patents stripe