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]+ 340.238326 181.4
[M+Na]+ 362.220268 184.0
[M-H]- 338.223774 177.7
[M+NH4]+ 357.264873 200.8
[M+K]+ 378.194208 178.2
[M+H-H2O]+ 322.228310 165.9
[M+HCOO]- 384.229251 180.9
[M+CH3COO]- 398.244901 186.4
[M+Na-2H]- 360.205716 189.1
[M]+ 339.23050142 178.4
[M]- 339.23159858 178.4
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.