CID 465145

3-methyl-2-phenyl-5-(4-pyridyl)-2h-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H13N3O
SMILES
CN1C(OC(=N1)C2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3O/c1-17-14(12-5-3-2-4-6-12)18-13(16-17)11-7-9-15-10-8-11/h2-10,14H,1H3
InChIKey
XOTDSIMPTPGRLC-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.10587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 153.1
[M+Na]+ 262.09509 162.0
[M-H]- 238.09859 159.7
[M+NH4]+ 257.13969 166.7
[M+K]+ 278.06903 158.6
[M+H-H2O]+ 222.10313 143.0
[M+HCOO]- 284.10407 173.4
[M+CH3COO]- 298.11972 165.4
[M+Na-2H]- 260.08054 158.6
[M]+ 239.10532 153.1
[M]- 239.10642 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.