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

6
Patents

318.17435 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18163 176.3
[M+Na]+ 341.16357 183.4
[M-H]- 317.16707 181.1
[M+NH4]+ 336.20817 190.8
[M+K]+ 357.13751 179.1
[M+H-H2O]+ 301.17161 166.6
[M+HCOO]- 363.17255 190.4
[M+CH3COO]- 377.18820 206.5
[M+Na-2H]- 339.14902 175.6
[M]+ 318.17380 172.4
[M]- 318.17490 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