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

19
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 146.6
[M+Na]+ 248.06820 158.2
[M-H]- 224.07170 153.7
[M+NH4]+ 243.11280 164.9
[M+K]+ 264.04214 154.6
[M+H-H2O]+ 208.07624 139.8
[M+HCOO]- 270.07718 169.8
[M+CH3COO]- 284.09283 161.0
[M+Na-2H]- 246.05365 154.2
[M]+ 225.07843 150.1
[M]- 225.07953 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