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]+ 339.24308 154.6
[M+Na]+ 361.22502 147.4
[M-H]- 337.22852 145.7
[M+NH4]+ 356.26962 171.2
[M+K]+ 377.19896 143.1
[M+H-H2O]+ 321.23306 140.5
[M+HCOO]- 383.23400 143.2
[M+CH3COO]- 397.24965 155.7
[M+Na-2H]- 359.21047 158.5
[M]+ 338.23525 150.9
[M]- 338.23635 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.