CID 378746

Nsc661902

Structural Information

Molecular Formula
C24H25ClN2O
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C24H25ClN2O/c25-21-8-6-20(7-9-21)23-27(22(26-28-23)19-4-2-1-3-5-19)24-13-16-10-17(14-24)12-18(11-16)15-24/h1-9,16-18,23H,10-15H2
InChIKey
XTCGJTFARXPSKA-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-5-(4-chlorophenyl)-3-phenyl-5H-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

392.16553 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.17281 184.0
[M+Na]+ 415.15475 187.4
[M-H]- 391.15825 186.1
[M+NH4]+ 410.19935 200.2
[M+K]+ 431.12869 181.1
[M+H-H2O]+ 375.16279 171.3
[M+HCOO]- 437.16373 183.5
[M+CH3COO]- 451.17938 190.3
[M+Na-2H]- 413.14020 188.7
[M]+ 392.16498 185.1
[M]- 392.16608 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.