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 203.9
[M+Na]+ 446.18505 209.8
[M-H]- 422.18855 209.6
[M+NH4]+ 441.22965 213.0
[M+K]+ 462.15899 203.1
[M+H-H2O]+ 406.19309 191.0
[M+HCOO]- 468.19403 215.8
[M+CH3COO]- 482.20968 226.5
[M+Na-2H]- 444.17050 199.7
[M]+ 423.19528 199.6
[M]- 423.19638 199.6
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.