CID 3077270

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

Structural Information

Molecular Formula
C18H23FN2O2
SMILES
CCN1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC1=O
InChI
InChI=1S/C18H23FN2O2/c1-3-21-14(2)18(23-17(21)22)9-12-20(13-10-18)11-8-15-4-6-16(19)7-5-15/h4-7H,2-3,8-13H2,1H3
InChIKey
DJIDDCHCRPAINZ-UHFFFAOYSA-N
Compound name
3-ethyl-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

9
Patents

318.17435 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.181626 176.3
[M+Na]+ 341.163568 183.4
[M-H]- 317.167074 181.1
[M+NH4]+ 336.208173 190.8
[M+K]+ 357.137508 179.1
[M+H-H2O]+ 301.171610 166.6
[M+HCOO]- 363.172551 190.4
[M+CH3COO]- 377.188201 206.5
[M+Na-2H]- 339.149016 175.6
[M]+ 318.17380142 172.4
[M]- 318.17489858 172.4
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