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]+ 330.290376 185.8
[M+Na]+ 352.272318 186.8
[M-H]- 328.275824 187.5
[M+NH4]+ 347.316923 198.3
[M+K]+ 368.246258 182.3
[M+H-H2O]+ 312.280360 174.7
[M+HCOO]- 374.281301 198.7
[M+CH3COO]- 388.296951 219.2
[M+Na-2H]- 350.257766 187.3
[M]+ 329.28255142 182.8
[M]- 329.28364858 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.