CID 16727837

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

Structural Information

Molecular Formula
C16H18N2OS
SMILES
C1C2CC3CC1CC(C2)C3C4=NN=C(O4)C5=CC=CS5
InChI
InChI=1S/C16H18N2OS/c1-2-13(20-3-1)15-17-18-16(19-15)14-11-5-9-4-10(7-11)8-12(14)6-9/h1-3,9-12,14H,4-8H2
InChIKey
ZKLSZDXGEYOOMO-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)-5-thiophen-2-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.11398 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 152.3
[M+Na]+ 309.10320 158.3
[M-H]- 285.10670 153.5
[M+NH4]+ 304.14780 174.0
[M+K]+ 325.07714 156.2
[M+H-H2O]+ 269.11124 146.9
[M+HCOO]- 331.11218 158.1
[M+CH3COO]- 345.12783 162.6
[M+Na-2H]- 307.08865 158.1
[M]+ 286.11343 158.5
[M]- 286.11453 158.5
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.