CID 16727838

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

Structural Information

Molecular Formula
C22H30N2O
SMILES
C1C2CC3CC1CC(C2)C3C4=NN=C(O4)C5C6CC7CC(C6)CC5C7
InChI
InChI=1S/C22H30N2O/c1-11-3-15-5-12(1)6-16(4-11)19(15)21-23-24-22(25-21)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2
InChIKey
FAOPGAGGYFTMME-UHFFFAOYSA-N
Compound name
2,5-bis(2-adamantyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.2358 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.243076 154.6
[M+Na]+ 361.225018 147.4
[M-H]- 337.228524 145.7
[M+NH4]+ 356.269623 171.2
[M+K]+ 377.198958 143.1
[M+H-H2O]+ 321.233060 140.5
[M+HCOO]- 383.234001 143.2
[M+CH3COO]- 397.249651 155.7
[M+Na-2H]- 359.210466 158.5
[M]+ 338.23525142 150.9
[M]- 338.23634858 150.9
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.