CID 3052890

8-(p-propionamido)phenethyl-1-oxa-3,8-diazaspiro(4.5)decan-9-one hydrochloride

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CCC(=O)NC1=CC=C(C=C1)CCN2CCC3(CC2=O)CNCO3
InChI
InChI=1S/C18H25N3O3/c1-2-16(22)20-15-5-3-14(4-6-15)7-9-21-10-8-18(11-17(21)23)12-19-13-24-18/h3-6,19H,2,7-13H2,1H3,(H,20,22)
InChIKey
QHWVSSBJDCUJKB-UHFFFAOYSA-N
Compound name
N-[4-[2-(7-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1896 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19688 179.9
[M+Na]+ 354.17882 183.2
[M-H]- 330.18232 184.0
[M+NH4]+ 349.22342 192.1
[M+K]+ 370.15276 179.8
[M+H-H2O]+ 314.18686 170.7
[M+HCOO]- 376.18780 193.8
[M+CH3COO]- 390.20345 206.6
[M+Na-2H]- 352.16427 180.5
[M]+ 331.18905 174.5
[M]- 331.19015 174.5
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

No patent data available for this compound.