CID 31919

23462-15-9

Structural Information

Molecular Formula
C19H31N3
SMILES
CN(C)CCCN1C2CCCC1CN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H31N3/c1-20(2)12-7-13-22-18-10-6-11-19(22)16-21(15-18)14-17-8-4-3-5-9-17/h3-5,8-9,18-19H,6-7,10-16H2,1-2H3
InChIKey
OPTACMBOSQKGIE-UHFFFAOYSA-N
Compound name
3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.25908 176.9
[M+Na]+ 324.24102 178.8
[M-H]- 300.24452 179.1
[M+NH4]+ 319.28562 190.6
[M+K]+ 340.21496 174.8
[M+H-H2O]+ 284.24906 166.3
[M+HCOO]- 346.25000 190.6
[M+CH3COO]- 360.26565 213.3
[M+Na-2H]- 322.22647 179.5
[M]+ 301.25125 173.2
[M]- 301.25235 173.2
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.