CID 16727835

2-(2-adamantyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C20H24N2O3
SMILES
COC1=C(C=C(C=C1)C2=NN=C(O2)C3C4CC5CC(C4)CC3C5)OC
InChI
InChI=1S/C20H24N2O3/c1-23-16-4-3-13(10-17(16)24-2)19-21-22-20(25-19)18-14-6-11-5-12(8-14)9-15(18)7-11/h3-4,10-12,14-15,18H,5-9H2,1-2H3
InChIKey
WUGAXPBEYYJPFQ-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.17868 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18596 174.0
[M+Na]+ 363.16790 177.2
[M-H]- 339.17140 174.1
[M+NH4]+ 358.21250 190.3
[M+K]+ 379.14184 174.5
[M+H-H2O]+ 323.17594 164.3
[M+HCOO]- 385.17688 179.5
[M+CH3COO]- 399.19253 181.6
[M+Na-2H]- 361.15335 179.8
[M]+ 340.17813 178.6
[M]- 340.17923 178.6
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.