CID 3077316

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

Structural Information

Molecular Formula
C18H25FN2O3
SMILES
CCN1C(=O)OC2(C1(C)O)CCN(CC2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C18H25FN2O3/c1-3-21-16(22)24-18(17(21,2)23)9-12-20(13-10-18)11-8-14-4-6-15(19)7-5-14/h4-7,23H,3,8-13H2,1-2H3
InChIKey
VRQDXCMKHWFAFO-UHFFFAOYSA-N
Compound name
3-ethyl-8-[2-(4-fluorophenyl)ethyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

336.1849 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19218 178.8
[M+Na]+ 359.17412 186.0
[M-H]- 335.17762 182.6
[M+NH4]+ 354.21872 193.9
[M+K]+ 375.14806 182.5
[M+H-H2O]+ 319.18216 169.8
[M+HCOO]- 381.18310 191.4
[M+CH3COO]- 395.19875 206.7
[M+Na-2H]- 357.15957 179.3
[M]+ 336.18435 175.8
[M]- 336.18545 175.8
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

patents stripe