CID 3077237

8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-3-propyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one

Structural Information

Molecular Formula
C27H32F2N2O2
SMILES
CCCN1C(=C)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC1=O
InChI
InChI=1S/C27H32F2N2O2/c1-3-16-31-20(2)27(33-26(31)32)14-18-30(19-15-27)17-4-5-25(21-6-10-23(28)11-7-21)22-8-12-24(29)13-9-22/h6-13,25H,2-5,14-19H2,1H3
InChIKey
LQBGJLVMYJGVSS-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

454.2432 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.25048 218.2
[M+Na]+ 477.23242 228.8
[M+NH4]+ 472.27702 224.3
[M+K]+ 493.20636 220.3
[M-H]- 453.23592 221.6
[M+Na-2H]- 475.21787 222.6
[M]+ 454.24265 220.6
[M]- 454.24375 220.6
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

patents stripe