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 214.9
[M+Na]+ 477.23242 219.8
[M-H]- 453.23592 220.7
[M+NH4]+ 472.27702 223.1
[M+K]+ 493.20636 213.1
[M+H-H2O]+ 437.24046 201.7
[M+HCOO]- 499.24140 224.9
[M+CH3COO]- 513.25705 233.8
[M+Na-2H]- 475.21787 208.7
[M]+ 454.24265 210.0
[M]- 454.24375 210.0
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

patents stripe