CID 298408

8-((3-oxo-2-quinuclidinyl)methyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one

Structural Information

Molecular Formula
C21H28N4O2
SMILES
C1CN2CCC1C(=O)C2CN3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5
InChI
InChI=1S/C21H28N4O2/c26-19-16-6-10-24(11-7-16)18(19)14-23-12-8-21(9-13-23)20(27)22-15-25(21)17-4-2-1-3-5-17/h1-5,16,18H,6-15H2,(H,22,27)
InChIKey
LZCWOTBYMUFATH-UHFFFAOYSA-N
Compound name
8-[(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22122 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 183.4
[M+Na]+ 391.21044 185.1
[M-H]- 367.21394 180.2
[M+NH4]+ 386.25504 196.8
[M+K]+ 407.18438 178.4
[M+H-H2O]+ 351.21848 171.0
[M+HCOO]- 413.21942 183.1
[M+CH3COO]- 427.23507 187.8
[M+Na-2H]- 389.19589 185.6
[M]+ 368.22067 176.4
[M]- 368.22177 176.4
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.