CID 3077275

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

Structural Information

Molecular Formula
C28H34F2N2O2
SMILES
CCC(C)N1C(=C)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC1=O
InChI
InChI=1S/C28H34F2N2O2/c1-4-20(2)32-21(3)28(34-27(32)33)15-18-31(19-16-28)17-5-6-26(22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h7-14,20,26H,3-6,15-19H2,1-2H3
InChIKey
KJZRYOFACLTRBF-UHFFFAOYSA-N
Compound name
8-[4,4-bis(4-fluorophenyl)butyl]-3-butan-2-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

468.25882 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.26610 218.8
[M+Na]+ 491.24804 222.9
[M-H]- 467.25154 224.4
[M+NH4]+ 486.29264 226.3
[M+K]+ 507.22198 216.5
[M+H-H2O]+ 451.25608 205.7
[M+HCOO]- 513.25702 227.4
[M+CH3COO]- 527.27267 237.5
[M+Na-2H]- 489.23349 211.1
[M]+ 468.25827 213.6
[M]- 468.25937 213.6
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.