CID 16727832

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

Structural Information

Molecular Formula
C18H19BrN2O
SMILES
C1C2CC3CC1CC(C2)C3C4=NN=C(O4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C18H19BrN2O/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
MWYZNIQUSUVFLC-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)-5-(4-bromophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.06808 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07536 173.9
[M+Na]+ 381.05730 180.1
[M-H]- 357.06080 176.7
[M+NH4]+ 376.10190 193.1
[M+K]+ 397.03124 170.8
[M+H-H2O]+ 341.06534 171.7
[M+HCOO]- 403.06628 178.8
[M+CH3COO]- 417.08193 183.4
[M+Na-2H]- 379.04275 181.0
[M]+ 358.06753 192.4
[M]- 358.06863 192.4
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.