CID 3077276

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

Structural Information

Molecular Formula
C20H27FN2O2
SMILES
CCC(C)N1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC1=O
InChI
InChI=1S/C20H27FN2O2/c1-4-15(2)23-16(3)20(25-19(23)24)10-13-22(14-11-20)12-9-17-5-7-18(21)8-6-17/h5-8,15H,3-4,9-14H2,1-2H3
InChIKey
URWWCAJEOQFYCP-UHFFFAOYSA-N
Compound name
3-butan-2-yl-8-[2-(4-fluorophenyl)ethyl]-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

346.20566 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21294 188.1
[M+Na]+ 369.19488 198.4
[M+NH4]+ 364.23948 195.4
[M+K]+ 385.16882 191.6
[M-H]- 345.19838 190.8
[M+Na-2H]- 367.18033 191.9
[M]+ 346.20511 190.2
[M]- 346.20621 190.2
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.