CID 212023

23804-75-3

Structural Information

Molecular Formula
C16H19F3N2O2
SMILES
C1CN(CCC12CNC(=O)O2)CCC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C16H19F3N2O2/c17-16(18,19)13-3-1-2-12(10-13)4-7-21-8-5-15(6-9-21)11-20-14(22)23-15/h1-3,10H,4-9,11H2,(H,20,22)
InChIKey
BQDOKYGIOCNNLC-UHFFFAOYSA-N
Compound name
8-[2-[3-(trifluoromethyl)phenyl]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

328.13986 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14714 175.3
[M+Na]+ 351.12908 181.2
[M-H]- 327.13258 175.9
[M+NH4]+ 346.17368 188.2
[M+K]+ 367.10302 176.8
[M+H-H2O]+ 311.13712 164.4
[M+HCOO]- 373.13806 184.7
[M+CH3COO]- 387.15371 201.7
[M+Na-2H]- 349.11453 176.4
[M]+ 328.13931 166.1
[M]- 328.14041 166.1
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