CID 135698694

3-(1,3-benzoxazol-2-yl)-2-pyridinol

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC=CNC3=O
InChI
InChI=1S/C12H8N2O2/c15-11-8(4-3-7-13-11)12-14-9-5-1-2-6-10(9)16-12/h1-7H,(H,13,15)
InChIKey
IMBFGQSBFRQBTA-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.05858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 142.1
[M+Na]+ 235.04780 158.6
[M+NH4]+ 230.09240 150.6
[M+K]+ 251.02174 153.4
[M-H]- 211.05130 146.7
[M+Na-2H]- 233.03325 151.2
[M]+ 212.05803 145.9
[M]- 212.05913 145.9
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