CID 3077258

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

Structural Information

Molecular Formula
C17H21FN2O2
SMILES
CN1C(=C)C2(CCN(CC2)CCC3=CC=C(C=C3)F)OC1=O
InChI
InChI=1S/C17H21FN2O2/c1-13-17(22-16(21)19(13)2)8-11-20(12-9-17)10-7-14-3-5-15(18)6-4-14/h3-6H,1,7-12H2,2H3
InChIKey
WNXFWNVHRUTQLB-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

304.1587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16598 171.8
[M+Na]+ 327.14792 179.4
[M-H]- 303.15142 176.8
[M+NH4]+ 322.19252 186.9
[M+K]+ 343.12186 175.3
[M+H-H2O]+ 287.15596 162.3
[M+HCOO]- 349.15690 186.3
[M+CH3COO]- 363.17255 203.5
[M+Na-2H]- 325.13337 171.6
[M]+ 304.15815 167.6
[M]- 304.15925 167.6
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