CID 31923

23462-17-1

Structural Information

Molecular Formula
C22H35N3
SMILES
C1CCN(CC1)CCCN2C3CCCC2CN(C3)CC4=CC=CC=C4
InChI
InChI=1S/C22H35N3/c1-3-9-20(10-4-1)17-24-18-21-11-7-12-22(19-24)25(21)16-8-15-23-13-5-2-6-14-23/h1,3-4,9-10,21-22H,2,5-8,11-19H2
InChIKey
YRPCUIXZDLAVQE-UHFFFAOYSA-N
Compound name
3-benzyl-9-(3-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2831 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.29038 188.9
[M+Na]+ 364.27232 188.2
[M-H]- 340.27582 189.9
[M+NH4]+ 359.31692 198.1
[M+K]+ 380.24626 181.8
[M+H-H2O]+ 324.28036 175.6
[M+HCOO]- 386.28130 195.4
[M+CH3COO]- 400.29695 193.7
[M+Na-2H]- 362.25777 188.9
[M]+ 341.28255 178.9
[M]- 341.28365 178.9
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.