CID 16727830

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

Structural Information

Molecular Formula
C18H19FN2O
SMILES
C1C2CC3CC1CC(C2)C3C4=NN=C(O4)C5=CC=C(C=C5)F
InChI
InChI=1S/C18H19FN2O/c19-15-3-1-12(2-4-15)17-20-21-18(22-17)16-13-6-10-5-11(8-13)9-14(16)7-10/h1-4,10-11,13-14,16H,5-9H2
InChIKey
BNXJQHUHFAWOJQ-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.14813 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15541 161.4
[M+Na]+ 321.13735 165.4
[M-H]- 297.14085 160.4
[M+NH4]+ 316.18195 179.4
[M+K]+ 337.11129 161.1
[M+H-H2O]+ 281.14539 151.0
[M+HCOO]- 343.14633 166.6
[M+CH3COO]- 357.16198 169.4
[M+Na-2H]- 319.12280 167.9
[M]+ 298.14758 161.4
[M]- 298.14868 161.4
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.