CID 3045886

1,3,8-triazaspiro(4,5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)cyclohexyl)-1-(4-chlorophenyl)-

Structural Information

Molecular Formula
C31H32ClF2N3O
SMILES
C1CC(CCC1N2CCC3(CC2)C(=O)NCN3C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F
InChI
InChI=1S/C31H32ClF2N3O/c32-24-5-11-28(12-6-24)37-21-35-29(38)31(37)17-19-36(20-18-31)27-13-15-30(16-14-27,22-1-7-25(33)8-2-22)23-3-9-26(34)10-4-23/h1-12,27H,13-21H2,(H,35,38)
InChIKey
PVADHCQRQHNITG-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

535.2202 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.22748 233.3
[M+Na]+ 558.20942 246.5
[M+NH4]+ 553.25402 241.9
[M+K]+ 574.18336 234.2
[M-H]- 534.21292 239.7
[M+Na-2H]- 556.19487 242.8
[M]+ 535.21965 237.4
[M]- 535.22075 237.4
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

patents stripe