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]+ 332.196876 179.9
[M+Na]+ 354.178818 183.2
[M-H]- 330.182324 184.0
[M+NH4]+ 349.223423 192.1
[M+K]+ 370.152758 179.8
[M+H-H2O]+ 314.186860 170.7
[M+HCOO]- 376.187801 193.8
[M+CH3COO]- 390.203451 206.6
[M+Na-2H]- 352.164266 180.5
[M]+ 331.18905142 174.5
[M]- 331.19014858 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.