CID 300761

N,n'-bis(2-pyridylmethyl)-1,2-ethylenediamine tetrahydrochloride

Structural Information

Molecular Formula
C14H18N4
SMILES
C1=CC=NC(=C1)CNCCNCC2=CC=CC=N2
InChI
InChI=1S/C14H18N4/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14/h1-8,15-16H,9-12H2
InChIKey
RJTZQPTVNWCDBI-UHFFFAOYSA-N
Compound name
N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

191
Patents

242.15315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.16043 154.4
[M+Na]+ 265.14237 159.3
[M-H]- 241.14587 157.5
[M+NH4]+ 260.18697 168.0
[M+K]+ 281.11631 154.7
[M+H-H2O]+ 225.15041 144.4
[M+HCOO]- 287.15135 178.2
[M+CH3COO]- 301.16700 197.2
[M+Na-2H]- 263.12782 163.9
[M]+ 242.15260 153.1
[M]- 242.15370 153.1
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