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 141.3
[M+Na]+ 235.04780 153.1
[M-H]- 211.05130 146.9
[M+NH4]+ 230.09240 158.3
[M+K]+ 251.02174 149.1
[M+H-H2O]+ 195.05584 133.7
[M+HCOO]- 257.05678 164.0
[M+CH3COO]- 271.07243 155.4
[M+Na-2H]- 233.03325 150.4
[M]+ 212.05803 143.5
[M]- 212.05913 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