CID 52990

74203-68-2

Structural Information

Molecular Formula
C20H28FNO3
SMILES
CCC1COCOC12CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H28FNO3/c1-2-17-14-24-15-25-20(17)9-12-22(13-10-20)11-3-4-19(23)16-5-7-18(21)8-6-16/h5-8,17H,2-4,9-15H2,1H3
InChIKey
FZFXJHSWQYGCBG-UHFFFAOYSA-N
Compound name
4-(5-ethyl-1,3-dioxa-9-azaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.20532 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21260 186.8
[M+Na]+ 372.19454 189.6
[M-H]- 348.19804 192.0
[M+NH4]+ 367.23914 197.3
[M+K]+ 388.16848 187.9
[M+H-H2O]+ 332.20258 176.0
[M+HCOO]- 394.20352 197.2
[M+CH3COO]- 408.21917 211.9
[M+Na-2H]- 370.17999 187.6
[M]+ 349.20477 182.0
[M]- 349.20587 182.0
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.