CID 15956971

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

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C15H13N3O2/c1-10-5-4-8-16-13(10)14-17-15(20-18-14)11-6-3-7-12(9-11)19-2/h3-9H,1-2H3
InChIKey
STZHNKJFZDWNCP-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)-3-(3-methylpyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.10077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 159.9
[M+Na]+ 290.08999 170.1
[M-H]- 266.09349 167.2
[M+NH4]+ 285.13459 172.6
[M+K]+ 306.06393 166.9
[M+H-H2O]+ 250.09803 149.7
[M+HCOO]- 312.09897 181.4
[M+CH3COO]- 326.11462 172.5
[M+Na-2H]- 288.07544 165.1
[M]+ 267.10022 163.4
[M]- 267.10132 163.4
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