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 244.5
[M+Na]+ 575.34192 245.8
[M-H]- 551.34542 248.8
[M+NH4]+ 570.38652 248.3
[M+K]+ 591.31586 238.3
[M+H-H2O]+ 535.34996 230.3
[M+HCOO]- 597.35090 250.9
[M+CH3COO]- 611.36655 254.6
[M+Na-2H]- 573.32737 233.7
[M]+ 552.35215 241.2
[M]- 552.35325 241.2
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.