CID 3077279

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

Structural Information

Molecular Formula
C34H32F2N2O2
SMILES
C=C1C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1C5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C34H32F2N2O2/c1-24-34(40-33(39)38(24)32-10-4-7-25-6-2-3-8-31(25)32)19-22-37(23-20-34)21-5-9-30(26-11-15-28(35)16-12-26)27-13-17-29(36)18-14-27/h2-4,6-8,10-18,30H,1,5,9,19-23H2
InChIKey
GEVQGWNIMSGWSR-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-naphthalen-1-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

538.24316 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.25044 239.0
[M+Na]+ 561.23238 252.9
[M+NH4]+ 556.27698 246.0
[M+K]+ 577.20632 242.2
[M-H]- 537.23588 246.0
[M+Na-2H]- 559.21783 245.9
[M]+ 538.24261 243.1
[M]- 538.24371 243.1
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