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 185.1
[M+Na]+ 369.19488 191.0
[M-H]- 345.19838 189.6
[M+NH4]+ 364.23948 198.4
[M+K]+ 385.16882 186.8
[M+H-H2O]+ 329.20292 175.3
[M+HCOO]- 391.20386 197.5
[M+CH3COO]- 405.21951 213.3
[M+Na-2H]- 367.18033 182.3
[M]+ 346.20511 181.3
[M]- 346.20621 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.