CID 66550324

Miricorilant

Structural Information

Molecular Formula
C24H23F3N2O2
SMILES
C1CC(CCC1C2=CC=CC=C2)C3=C(C(=O)NC(=O)N3)CC4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C24H23F3N2O2/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(28-23(31)29-22(20)30)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18H,9-12,14H2,(H2,28,29,30,31)
InChIKey
GVVUZBSCYAVFTI-UHFFFAOYSA-N
Compound name
6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

444
Patents

428.17117 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.178446 204.1
[M+Na]+ 451.160388 210.3
[M-H]- 427.163894 206.9
[M+NH4]+ 446.204993 208.8
[M+K]+ 467.134328 200.5
[M+H-H2O]+ 411.168430 189.7
[M+HCOO]- 473.169371 213.0
[M+CH3COO]- 487.185021 209.7
[M+Na-2H]- 449.145836 202.9
[M]+ 428.17062142 193.9
[M]- 428.17171858 193.9
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

patents stripe