CID 2744340

Schembl29286040

Structural Information

Molecular Formula
C15H16N4O
SMILES
CCN1C(=CC(=N1)C)C2=NN=C(O2)C3=CC=C(C=C3)C
InChI
InChI=1S/C15H16N4O/c1-4-19-13(9-11(3)18-19)15-17-16-14(20-15)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3
InChIKey
IHWDRLRKSDLWCY-UHFFFAOYSA-N
Compound name
2-(2-ethyl-5-methylpyrazol-3-yl)-5-(4-methylphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

268.13242 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.139696 160.6
[M+Na]+ 291.121638 172.8
[M-H]- 267.125144 167.6
[M+NH4]+ 286.166243 174.4
[M+K]+ 307.095578 169.0
[M+H-H2O]+ 251.129680 151.0
[M+HCOO]- 313.130621 182.8
[M+CH3COO]- 327.146271 173.8
[M+Na-2H]- 289.107086 162.9
[M]+ 268.13187142 166.1
[M]- 268.13296858 166.1
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

patents stripe