CID 3077262

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

Structural Information

Molecular Formula
C19H25FN2O2
SMILES
CCCN1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC1=O
InChI
InChI=1S/C19H25FN2O2/c1-3-11-22-15(2)19(24-18(22)23)9-13-21(14-10-19)12-8-16-4-6-17(20)7-5-16/h4-7H,2-3,8-14H2,1H3
InChIKey
STHKZMXODQXZGN-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

332.19 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19728 180.8
[M+Na]+ 355.17922 187.4
[M-H]- 331.18272 185.4
[M+NH4]+ 350.22382 194.7
[M+K]+ 371.15316 182.9
[M+H-H2O]+ 315.18726 170.8
[M+HCOO]- 377.18820 194.5
[M+CH3COO]- 391.20385 209.5
[M+Na-2H]- 353.16467 179.5
[M]+ 332.18945 177.2
[M]- 332.19055 177.2
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