CID 378764

Nsc661920

Structural Information

Molecular Formula
C24H24Cl2N2O
SMILES
C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=CC(=C6)Cl)Cl
InChI
InChI=1S/C24H24Cl2N2O/c25-20-9-19(10-21(26)11-20)23-28(22(27-29-23)18-4-2-1-3-5-18)24-12-15-6-16(13-24)8-17(7-15)14-24/h1-5,9-11,15-17,23H,6-8,12-14H2
InChIKey
MRCFUJLJBDHFHW-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-5-(3,5-dichlorophenyl)-3-phenyl-5H-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.12656 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13384 192.4
[M+Na]+ 449.11578 197.0
[M-H]- 425.11928 193.9
[M+NH4]+ 444.16038 207.8
[M+K]+ 465.08972 190.3
[M+H-H2O]+ 409.12382 180.2
[M+HCOO]- 471.12476 187.1
[M+CH3COO]- 485.14041 198.1
[M+Na-2H]- 447.10123 195.4
[M]+ 426.12601 195.2
[M]- 426.12711 195.2
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.