CID 380227

Nsc665703

Structural Information

Molecular Formula
C14H11N3O2
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=NC=C3
InChI
InChI=1S/C14H11N3O2/c1-18-12-4-2-10(3-5-12)13-16-17-14(19-13)11-6-8-15-9-7-11/h2-9H,1H3
InChIKey
QGXSXPVCFLKHQV-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09241 154.7
[M+Na]+ 276.07435 164.5
[M-H]- 252.07785 161.7
[M+NH4]+ 271.11895 167.7
[M+K]+ 292.04829 161.5
[M+H-H2O]+ 236.08239 144.5
[M+HCOO]- 298.08333 176.6
[M+CH3COO]- 312.09898 167.4
[M+Na-2H]- 274.05980 161.3
[M]+ 253.08458 157.5
[M]- 253.08568 157.5
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

No patent data available for this compound.