CID 199891

Brn 0546218

Structural Information

Molecular Formula
C16H22N2O3
SMILES
C1CN(CCC12CNC(=O)O2)CC(CC3=CC=CC=C3)O
InChI
InChI=1S/C16H22N2O3/c19-14(10-13-4-2-1-3-5-13)11-18-8-6-16(7-9-18)12-17-15(20)21-16/h1-5,14,19H,6-12H2,(H,17,20)
InChIKey
XQCQBWOFMOHMCI-UHFFFAOYSA-N
Compound name
8-(2-hydroxy-3-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 170.3
[M+Na]+ 313.15228 179.7
[M+NH4]+ 308.19688 178.1
[M+K]+ 329.12622 174.5
[M-H]- 289.15578 173.3
[M+Na-2H]- 311.13773 175.2
[M]+ 290.16251 172.2
[M]- 290.16361 172.2
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

No patent data available for this compound.