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 175.6
[M+Na]+ 319.21447 177.6
[M-H]- 295.21797 181.9
[M+NH4]+ 314.25907 190.1
[M+K]+ 335.18841 174.0
[M+H-H2O]+ 279.22251 166.1
[M+HCOO]- 341.22345 199.3
[M+CH3COO]- 355.23910 214.1
[M+Na-2H]- 317.19992 179.1
[M]+ 296.22470 175.8
[M]- 296.22580 175.8
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.