CID 3077265

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

Structural Information

Molecular Formula
C34H46F2N2O2
SMILES
CCCCCCCC(CC)N1C(=C)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC1=O
InChI
InChI=1S/C34H46F2N2O2/c1-4-6-7-8-9-11-31(5-2)38-26(3)34(40-33(38)39)21-24-37(25-22-34)23-10-12-32(27-13-17-29(35)18-14-27)28-15-19-30(36)20-16-28/h13-20,31-32H,3-12,21-25H2,1-2H3
InChIKey
FLBNPRXPKZKWBQ-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-3-decan-3-yl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.3527 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.35998 247.1
[M+Na]+ 575.34192 255.8
[M+NH4]+ 570.38652 251.8
[M+K]+ 591.31586 246.6
[M-H]- 551.34542 250.1
[M+Na-2H]- 573.32737 249.4
[M]+ 552.35215 249.0
[M]- 552.35325 249.0
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

No patent data available for this compound.