CID 31913

3,9-diazabicyclo(3.3.1)nonane, 3-benzyl-9-(2-(dimethylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H29N3
SMILES
CN(C)CCN1C2CCCC1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H29N3/c1-19(2)11-12-21-17-9-6-10-18(21)15-20(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,17-18H,6,9-15H2,1-2H3
InChIKey
WGTOEPGMIXAYJB-UHFFFAOYSA-N
Compound name
2-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.23615 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.24343 172.8
[M+Na]+ 310.22537 184.4
[M+NH4]+ 305.26997 181.9
[M+K]+ 326.19931 175.7
[M-H]- 286.22887 177.0
[M+Na-2H]- 308.21082 177.8
[M]+ 287.23560 175.5
[M]- 287.23670 175.5
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.