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]+ 347.212936 185.1
[M+Na]+ 369.194878 191.0
[M-H]- 345.198384 189.6
[M+NH4]+ 364.239483 198.4
[M+K]+ 385.168818 186.8
[M+H-H2O]+ 329.202920 175.3
[M+HCOO]- 391.203861 197.5
[M+CH3COO]- 405.219511 213.3
[M+Na-2H]- 367.180326 182.3
[M]+ 346.20511142 181.3
[M]- 346.20620858 181.3
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.