CID 577295

2-(furan-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C13H10N2O2
SMILES
CC1=CC=CC=C1C2=NN=C(O2)C3=CC=CO3
InChI
InChI=1S/C13H10N2O2/c1-9-5-2-3-6-10(9)12-14-15-13(17-12)11-7-4-8-16-11/h2-8H,1H3
InChIKey
YMJXPGQMJRCACX-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

226.07423 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 145.1
[M+Na]+ 249.06345 156.4
[M-H]- 225.06695 154.9
[M+NH4]+ 244.10805 161.4
[M+K]+ 265.03739 155.2
[M+H-H2O]+ 209.07149 137.6
[M+HCOO]- 271.07243 170.1
[M+CH3COO]- 285.08808 160.0
[M+Na-2H]- 247.04890 151.1
[M]+ 226.07368 150.2
[M]- 226.07478 150.2
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.