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 169.3
[M+Na]+ 313.15228 172.7
[M-H]- 289.15578 172.0
[M+NH4]+ 308.19688 182.5
[M+K]+ 329.12622 169.5
[M+H-H2O]+ 273.16032 160.6
[M+HCOO]- 335.16126 181.1
[M+CH3COO]- 349.17691 177.7
[M+Na-2H]- 311.13773 170.4
[M]+ 290.16251 162.5
[M]- 290.16361 162.5
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