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

5
Patents

212.05858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.065856 141.3
[M+Na]+ 235.047798 153.1
[M-H]- 211.051304 146.9
[M+NH4]+ 230.092403 158.3
[M+K]+ 251.021738 149.1
[M+H-H2O]+ 195.055840 133.7
[M+HCOO]- 257.056781 164.0
[M+CH3COO]- 271.072431 155.4
[M+Na-2H]- 233.033246 150.4
[M]+ 212.05803142 143.5
[M]- 212.05912858 143.5
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