CID 1280292

1'-benzyl-5,7-dimethyl-6-oxospiro(1,3-diazaadamantane-2,4'-piperidine)

Structural Information

Molecular Formula
C21H29N3O
SMILES
CC12CN3CC(C1=O)(CN(C2)C34CCN(CC4)CC5=CC=CC=C5)C
InChI
InChI=1S/C21H29N3O/c1-19-13-23-15-20(2,18(19)25)16-24(14-19)21(23)8-10-22(11-9-21)12-17-6-4-3-5-7-17/h3-7H,8-16H2,1-2H3
InChIKey
PMJGSYLWLYABGD-UHFFFAOYSA-N
Compound name
1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-piperidine]-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.23833 188.5
[M+Na]+ 362.22027 199.9
[M+NH4]+ 357.26487 202.8
[M+K]+ 378.19421 185.1
[M-H]- 338.22377 189.1
[M+Na-2H]- 360.20572 189.7
[M]+ 339.23050 190.9
[M]- 339.23160 190.9
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.