CID 3077260

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

Structural Information

Molecular Formula
C19H25FN2O2
SMILES
CC(C)N1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC1=O
InChI
InChI=1S/C19H25FN2O2/c1-14(2)22-15(3)19(24-18(22)23)9-12-21(13-10-19)11-8-16-4-6-17(20)7-5-16/h4-7,14H,3,8-13H2,1-2H3
InChIKey
VUXPHDLYHYMKJL-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-4-methylidene-3-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

332.19 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19728 180.7
[M+Na]+ 355.17922 187.0
[M-H]- 331.18272 185.4
[M+NH4]+ 350.22382 194.5
[M+K]+ 371.15316 183.0
[M+H-H2O]+ 315.18726 171.0
[M+HCOO]- 377.18820 193.4
[M+CH3COO]- 391.20385 210.4
[M+Na-2H]- 353.16467 178.3
[M]+ 332.18945 176.5
[M]- 332.19055 176.5
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