CID 378745

Nsc661901

Structural Information

Molecular Formula
C24H25FN2O
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=CC=C6)F
InChI
InChI=1S/C24H25FN2O/c25-21-8-4-7-20(12-21)23-27(22(26-28-23)19-5-2-1-3-6-19)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18,23H,9-11,13-15H2
InChIKey
HYHLGFDNLJIHFZ-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-5-(3-fluorophenyl)-3-phenyl-5H-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.1951 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.20238 179.9
[M+Na]+ 399.18432 182.6
[M-H]- 375.18782 181.1
[M+NH4]+ 394.22892 195.8
[M+K]+ 415.15826 176.7
[M+H-H2O]+ 359.19236 165.9
[M+HCOO]- 421.19330 182.7
[M+CH3COO]- 435.20895 186.0
[M+Na-2H]- 397.16977 184.6
[M]+ 376.19455 177.8
[M]- 376.19565 177.8
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.