CID 31921

23462-16-0

Structural Information

Molecular Formula
C21H35N3
SMILES
CCN(CC)CCCN1C2CCCC1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H35N3/c1-3-22(4-2)14-9-15-24-20-12-8-13-21(24)18-23(17-20)16-19-10-6-5-7-11-19/h5-7,10-11,20-21H,3-4,8-9,12-18H2,1-2H3
InChIKey
KARQXGITSIWTKG-UHFFFAOYSA-N
Compound name
3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.2831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.29038 185.8
[M+Na]+ 352.27232 186.8
[M-H]- 328.27582 187.5
[M+NH4]+ 347.31692 198.3
[M+K]+ 368.24626 182.3
[M+H-H2O]+ 312.28036 174.7
[M+HCOO]- 374.28130 198.7
[M+CH3COO]- 388.29695 219.2
[M+Na-2H]- 350.25777 187.3
[M]+ 329.28255 182.8
[M]- 329.28365 182.8
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.