CID 200022

5500-76-5

Structural Information

Molecular Formula
C15H19FN2O2
SMILES
C1CN(CCC12CNC(=O)O2)CCC3=CC=C(C=C3)F
InChI
InChI=1S/C15H19FN2O2/c16-13-3-1-12(2-4-13)5-8-18-9-6-15(7-10-18)11-17-14(19)20-15/h1-4H,5-11H2,(H,17,19)
InChIKey
XMLLMZWAYIWEFP-UHFFFAOYSA-N
Compound name
8-[2-(4-fluorophenyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.14307 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15035 164.5
[M+Na]+ 301.13229 170.3
[M-H]- 277.13579 167.7
[M+NH4]+ 296.17689 179.4
[M+K]+ 317.10623 166.5
[M+H-H2O]+ 261.14033 154.9
[M+HCOO]- 323.14127 178.0
[M+CH3COO]- 337.15692 174.1
[M+Na-2H]- 299.11774 166.3
[M]+ 278.14252 157.7
[M]- 278.14362 157.7
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