CID 45219

N-diethylaminoethyldibenzylamine hydrochloride

Structural Information

Molecular Formula
C20H28N2
SMILES
CCN(CC)CCN(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C20H28N2/c1-3-21(4-2)15-16-22(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3
InChIKey
SAGPKEPWUZSHRV-UHFFFAOYSA-N
Compound name
N',N'-dibenzyl-N,N-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

296.22525 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 175.8
[M+Na]+ 319.21447 178.2
[M-H]- 295.21797 183.6
[M+NH4]+ 314.25907 191.1
[M+K]+ 335.18841 175.5
[M+H-H2O]+ 279.22251 166.0
[M+HCOO]- 341.22345 201.1
[M+CH3COO]- 355.23910 216.7
[M+Na-2H]- 317.19992 179.7
[M]+ 296.22470 178.0
[M]- 296.22580 178.0
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

patents stripe