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 206.2
[M+Na]+ 449.20110 212.0
[M-H]- 425.20460 212.4
[M+NH4]+ 444.24570 215.5
[M+K]+ 465.17504 205.7
[M+H-H2O]+ 409.20914 193.4
[M+HCOO]- 471.21008 216.9
[M+CH3COO]- 485.22573 213.2
[M+Na-2H]- 447.18655 201.1
[M]+ 426.21133 200.7
[M]- 426.21243 200.7
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