CID 31917

23462-14-8

Structural Information

Molecular Formula
C20H31N3O
SMILES
C1CC2CN(CC(C1)N2CCN3CCOCC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H31N3O/c1-2-5-18(6-3-1)15-22-16-19-7-4-8-20(17-22)23(19)10-9-21-11-13-24-14-12-21/h1-3,5-6,19-20H,4,7-17H2
InChIKey
DGKIJYVPQQCQHN-UHFFFAOYSA-N
Compound name
4-[2-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.2467 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.25398 183.4
[M+Na]+ 352.23592 183.8
[M-H]- 328.23942 185.5
[M+NH4]+ 347.28052 191.9
[M+K]+ 368.20986 179.5
[M+H-H2O]+ 312.24396 170.5
[M+HCOO]- 374.24490 189.9
[M+CH3COO]- 388.26055 189.1
[M+Na-2H]- 350.22137 185.0
[M]+ 329.24615 174.8
[M]- 329.24725 174.8
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.