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

literature stripe

Patent stripe

patents stripe