CID 15956973

2-[5-(2,5-dimethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-3-methyl-pyridine

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C16H15N3O3/c1-10-5-4-8-17-14(10)15-18-16(22-19-15)12-9-11(20-2)6-7-13(12)21-3/h4-9H,1-3H3
InChIKey
WJNZTTZTDWMYFZ-UHFFFAOYSA-N
Compound name
5-(2,5-dimethoxyphenyl)-3-(3-methylpyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.11133 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.8
[M+Na]+ 320.10055 178.3
[M-H]- 296.10405 175.3
[M+NH4]+ 315.14515 179.5
[M+K]+ 336.07449 175.4
[M+H-H2O]+ 280.10859 157.5
[M+HCOO]- 342.10953 189.1
[M+CH3COO]- 356.12518 180.1
[M+Na-2H]- 318.08600 171.8
[M]+ 297.11078 173.5
[M]- 297.11188 173.5
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