CID 24847078

1,3,8-triazaspiro(4.5)decane-2,4-dione, 1-cyclohexyl-8-(3-(p-fluorobenzoyl)propyl)-3-methyl-

Structural Information

Molecular Formula
C24H32FN3O3
SMILES
CN1C(=O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)N(C1=O)C4CCCCC4
InChI
InChI=1S/C24H32FN3O3/c1-26-22(30)24(28(23(26)31)20-6-3-2-4-7-20)13-16-27(17-14-24)15-5-8-21(29)18-9-11-19(25)12-10-18/h9-12,20H,2-8,13-17H2,1H3
InChIKey
BADHAPVQCHBDQR-UHFFFAOYSA-N
Compound name
1-cyclohexyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.24277 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.25005 210.0
[M+Na]+ 452.23199 218.6
[M+NH4]+ 447.27659 215.8
[M+K]+ 468.20593 211.9
[M-H]- 428.23549 211.9
[M+Na-2H]- 450.21744 213.4
[M]+ 429.24222 211.4
[M]- 429.24332 211.4
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

No patent data available for this compound.