CID 135429413

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

Structural Information

Molecular Formula
C15H13N3O4
SMILES
COC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=C(C=CC=N3)OC
InChI
InChI=1S/C15H13N3O4/c1-20-9-5-6-11(19)10(8-9)15-17-14(18-22-15)13-12(21-2)4-3-7-16-13/h3-8,19H,1-2H3
InChIKey
PNIYVJLVHXNCOJ-UHFFFAOYSA-N
Compound name
4-methoxy-2-[3-(3-methoxypyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.0906 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 166.2
[M+Na]+ 322.07982 176.4
[M-H]- 298.08332 172.6
[M+NH4]+ 317.12442 177.0
[M+K]+ 338.05376 173.6
[M+H-H2O]+ 282.08786 156.2
[M+HCOO]- 344.08880 186.6
[M+CH3COO]- 358.10445 178.1
[M+Na-2H]- 320.06527 170.4
[M]+ 299.09005 171.1
[M]- 299.09115 171.1
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