CID 47341

3,7-dibenzyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride

Structural Information

Molecular Formula
C21H26N2
SMILES
C1C2CN(CC1CN(C2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C21H26N2/c1-3-7-18(8-4-1)12-22-14-20-11-21(15-22)17-23(16-20)13-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2
InChIKey
AOELDAGSFOHVFW-UHFFFAOYSA-N
Compound name
3,7-dibenzyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

306.2096 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 175.9
[M+Na]+ 329.19882 179.0
[M-H]- 305.20232 180.0
[M+NH4]+ 324.24342 188.4
[M+K]+ 345.17276 172.4
[M+H-H2O]+ 289.20686 164.2
[M+HCOO]- 351.20780 188.7
[M+CH3COO]- 365.22345 183.8
[M+Na-2H]- 327.18427 179.8
[M]+ 306.20905 169.5
[M]- 306.21015 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe