CID 380436

Nsc665959

Structural Information

Molecular Formula
C18H19ClN2O
SMILES
C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C18H19ClN2O/c19-15-3-1-14(2-4-15)16-20-21-17(22-16)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2
InChIKey
UULKOPDDXSIABO-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.1186 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12588 165.5
[M+Na]+ 337.10782 170.6
[M-H]- 313.11132 165.4
[M+NH4]+ 332.15242 185.5
[M+K]+ 353.08176 165.5
[M+H-H2O]+ 297.11586 155.4
[M+HCOO]- 359.11680 167.3
[M+CH3COO]- 373.13245 173.8
[M+Na-2H]- 335.09327 173.3
[M]+ 314.11805 168.4
[M]- 314.11915 168.4
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.