CID 135429345

2-(3-pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-benzene-1,4-diol

Structural Information

Molecular Formula
C13H9N3O3
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=C(C=CC(=C3)O)O
InChI
InChI=1S/C13H9N3O3/c17-8-4-5-11(18)9(7-8)13-15-12(16-19-13)10-3-1-2-6-14-10/h1-7,17-18H
InChIKey
PNWBLVWQDMWWGW-UHFFFAOYSA-N
Compound name
2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.06439 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07167 154.3
[M+Na]+ 278.05361 164.4
[M-H]- 254.05711 159.3
[M+NH4]+ 273.09821 166.0
[M+K]+ 294.02755 160.4
[M+H-H2O]+ 238.06165 145.0
[M+HCOO]- 300.06259 173.7
[M+CH3COO]- 314.07824 166.3
[M+Na-2H]- 276.03906 159.9
[M]+ 255.06384 155.0
[M]- 255.06494 155.0
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