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]+ 288.243426 172.4
[M+Na]+ 310.225368 174.8
[M-H]- 286.228874 174.8
[M+NH4]+ 305.269973 186.7
[M+K]+ 326.199308 171.0
[M+H-H2O]+ 270.233410 162.0
[M+HCOO]- 332.234351 186.4
[M+CH3COO]- 346.250001 210.3
[M+Na-2H]- 308.210816 175.5
[M]+ 287.23560142 168.4
[M]- 287.23669858 168.4
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.