CID 8793

N,n'-dibenzylethylenediamine

Structural Information

Molecular Formula
C16H20N2
SMILES
C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
JUHORIMYRDESRB-UHFFFAOYSA-N
Compound name
N,N'-dibenzylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

482
References

99968
Patents

240.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 155.1
[M+Na]+ 263.15186 159.2
[M-H]- 239.15536 160.8
[M+NH4]+ 258.19646 171.5
[M+K]+ 279.12580 154.5
[M+H-H2O]+ 223.15990 146.7
[M+HCOO]- 285.16084 180.9
[M+CH3COO]- 299.17649 197.9
[M+Na-2H]- 261.13731 163.1
[M]+ 240.16209 153.5
[M]- 240.16319 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe