CID 3043812

Brn 2864125

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.22525 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 177.0
[M+Na]+ 319.21447 189.0
[M+NH4]+ 314.25907 185.7
[M+K]+ 335.18841 179.8
[M-H]- 295.21797 183.5
[M+Na-2H]- 317.19992 186.3
[M]+ 296.22470 180.6
[M]- 296.22580 180.6
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.