CID 378744

Nsc661900

Structural Information

Molecular Formula
C24H26N2O
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C24H26N2O/c1-3-7-20(8-4-1)22-25-27-23(21-9-5-2-6-10-21)26(22)24-14-17-11-18(15-24)13-19(12-17)16-24/h1-10,17-19,23H,11-16H2
InChIKey
FNJFABLHZKWMJK-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-3,5-diphenyl-5H-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.2045 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21178 174.2
[M+Na]+ 381.19372 175.9
[M-H]- 357.19722 176.3
[M+NH4]+ 376.23832 190.5
[M+K]+ 397.16766 170.5
[M+H-H2O]+ 341.20176 160.9
[M+HCOO]- 403.20270 178.1
[M+CH3COO]- 417.21835 180.6
[M+Na-2H]- 379.17917 180.2
[M]+ 358.20395 172.5
[M]- 358.20505 172.5
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.