CID 469944

N,n'-bis(1-pyridin-4-ylethyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C16H22N4
SMILES
CC(C1=CC=NC=C1)NCCNC(C)C2=CC=NC=C2
InChI
InChI=1S/C16H22N4/c1-13(15-3-7-17-8-4-15)19-11-12-20-14(2)16-5-9-18-10-6-16/h3-10,13-14,19-20H,11-12H2,1-2H3
InChIKey
BFOGSPSCGNNNHA-UHFFFAOYSA-N
Compound name
N,N'-bis(1-pyridin-4-ylethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.18445 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19173 165.0
[M+Na]+ 293.17367 168.4
[M-H]- 269.17717 168.0
[M+NH4]+ 288.21827 177.3
[M+K]+ 309.14761 164.4
[M+H-H2O]+ 253.18171 154.8
[M+HCOO]- 315.18265 186.1
[M+CH3COO]- 329.19830 204.9
[M+Na-2H]- 291.15912 170.9
[M]+ 270.18390 163.1
[M]- 270.18500 163.1
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

No patent data available for this compound.