CID 3077255

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

Structural Information

Molecular Formula
C25H28F2N2O2
SMILES
CN1C(=C)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC1=O
InChI
InChI=1S/C25H28F2N2O2/c1-18-25(31-24(30)28(18)2)13-16-29(17-14-25)15-3-4-23(19-5-9-21(26)10-6-19)20-7-11-22(27)12-8-20/h5-12,23H,1,3-4,13-17H2,2H3
InChIKey
MCAALVOMMYVHDQ-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

426.21188 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21916 209.6
[M+Na]+ 449.20110 220.6
[M+NH4]+ 444.24570 216.0
[M+K]+ 465.17504 212.5
[M-H]- 425.20460 213.1
[M+Na-2H]- 447.18655 214.5
[M]+ 426.21133 212.1
[M]- 426.21243 212.1
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