CID 16727829

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

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1C2CC3CC1CC(C2)C3C4=NN=C(O4)C5=CC=CC=C5
InChI
InChI=1S/C18H20N2O/c1-2-4-13(5-3-1)17-19-20-18(21-17)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-16H,6-10H2
InChIKey
SICHODDXIGUFFT-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.15756 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 155.8
[M+Na]+ 303.14678 158.8
[M-H]- 279.15028 155.7
[M+NH4]+ 298.19138 174.3
[M+K]+ 319.12072 155.1
[M+H-H2O]+ 263.15482 146.1
[M+HCOO]- 325.15576 162.1
[M+CH3COO]- 339.17141 164.2
[M+Na-2H]- 301.13223 163.7
[M]+ 280.15701 156.4
[M]- 280.15811 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.