CID 24847082

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

Structural Information

Molecular Formula
C24H26FN3O3
SMILES
CN1C(=O)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)N(C1=O)C4=CC=CC=C4
InChI
InChI=1S/C24H26FN3O3/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/h2-4,6-7,9-12H,5,8,13-17H2,1H3
InChIKey
RLFKQSWVPVBJNJ-UHFFFAOYSA-N
Compound name
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20311 205.8
[M+Na]+ 446.18505 217.2
[M+NH4]+ 441.22965 211.9
[M+K]+ 462.15899 209.9
[M-H]- 422.18855 208.4
[M+Na-2H]- 444.17050 211.9
[M]+ 423.19528 208.0
[M]- 423.19638 208.0
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.