CID 3077238

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

Structural Information

Molecular Formula
C23H25FN2O2
SMILES
C=C1C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC(=O)N1CC4=CC=CC=C4
InChI
InChI=1S/C23H25FN2O2/c1-18-23(28-22(27)26(18)17-20-5-3-2-4-6-20)12-15-25(16-13-23)14-11-19-7-9-21(24)10-8-19/h2-10H,1,11-17H2
InChIKey
IVWUSTQDHLGJNY-UHFFFAOYSA-N
Compound name
3-benzyl-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

380.19 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19728 196.6
[M+Na]+ 403.17922 209.5
[M+NH4]+ 398.22382 204.6
[M+K]+ 419.15316 200.8
[M-H]- 379.18272 202.2
[M+Na-2H]- 401.16467 203.8
[M]+ 380.18945 200.1
[M]- 380.19055 200.1
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