CID 201503

1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(3-phenyl)propyl-, hydrochloride

Structural Information

Molecular Formula
C16H22N2O2
SMILES
C1CN(CCC12CNC(=O)O2)CCCC3=CC=CC=C3
InChI
InChI=1S/C16H22N2O2/c19-15-17-13-16(20-15)8-11-18(12-9-16)10-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,17,19)
InChIKey
GOAMSPRIKKYMQH-UHFFFAOYSA-N
Compound name
8-(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

274.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.175396 165.9
[M+Na]+ 297.157338 170.2
[M-H]- 273.160844 169.9
[M+NH4]+ 292.201943 180.7
[M+K]+ 313.131278 166.6
[M+H-H2O]+ 257.165380 156.8
[M+HCOO]- 319.166321 180.1
[M+CH3COO]- 333.181971 175.3
[M+Na-2H]- 295.142786 168.4
[M]+ 274.16757142 160.0
[M]- 274.16866858 160.0
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.