CID 6394114

N1,n1-dibenzylethane-1,2-diamine

Structural Information

Molecular Formula
C16H20N2
SMILES
C1=CC=C(C=C1)CN(CCN)CC2=CC=CC=C2
InChI
InChI=1S/C16H20N2/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14,17H2
InChIKey
ACTNHJDHMQSOGL-UHFFFAOYSA-N
Compound name
N',N'-dibenzylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42374
Patents

240.16264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 156.8
[M+Na]+ 263.151858 161.0
[M-H]- 239.155364 163.5
[M+NH4]+ 258.196463 173.6
[M+K]+ 279.125798 157.5
[M+H-H2O]+ 223.159900 148.3
[M+HCOO]- 285.160841 182.5
[M+CH3COO]- 299.176491 200.6
[M+Na-2H]- 261.137306 162.8
[M]+ 240.16209142 155.4
[M]- 240.16318858 155.4
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