CID 135429347

5-methoxy-2-(3-pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-phenol

Structural Information

Molecular Formula
C14H11N3O3
SMILES
COC1=CC(=C(C=C1)C2=NC(=NO2)C3=CC=CC=N3)O
InChI
InChI=1S/C14H11N3O3/c1-19-9-5-6-10(12(18)8-9)14-16-13(17-20-14)11-4-2-3-7-15-11/h2-8,18H,1H3
InChIKey
SZLUTXOIJNBAAJ-UHFFFAOYSA-N
Compound name
5-methoxy-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.08005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 158.4
[M+Na]+ 292.06927 168.5
[M-H]- 268.07277 164.6
[M+NH4]+ 287.11387 170.3
[M+K]+ 308.04321 165.2
[M+H-H2O]+ 252.07731 148.6
[M+HCOO]- 314.07825 179.0
[M+CH3COO]- 328.09390 170.6
[M+Na-2H]- 290.05472 163.9
[M]+ 269.07950 161.3
[M]- 269.08060 161.3
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