CID 3077261

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

Structural Information

Molecular Formula
C30H30F2N2O2
SMILES
C=C1C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1C5=CC=CC=C5
InChI
InChI=1S/C30H30F2N2O2/c1-22-30(36-29(35)34(22)27-6-3-2-4-7-27)17-20-33(21-18-30)19-5-8-28(23-9-13-25(31)14-10-23)24-11-15-26(32)16-12-24/h2-4,6-7,9-16,28H,1,5,8,17-21H2
InChIKey
DXZFOANBRHMEGN-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

488.22754 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.23482 225.9
[M+Na]+ 511.21676 238.5
[M+NH4]+ 506.26136 232.5
[M+K]+ 527.19070 229.0
[M-H]- 487.22026 231.9
[M+Na-2H]- 509.20221 233.1
[M]+ 488.22699 229.4
[M]- 488.22809 229.4
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