CID 108969

In 33

Structural Information

Molecular Formula
C16H22N4
SMILES
CCN(CC)CCN(C1=CC=CC=N1)C2=CC=CC=N2
InChI
InChI=1S/C16H22N4/c1-3-19(4-2)13-14-20(15-9-5-7-11-17-15)16-10-6-8-12-18-16/h5-12H,3-4,13-14H2,1-2H3
InChIKey
OJSLDKDGEUTRMH-UHFFFAOYSA-N
Compound name
N,N-diethyl-N',N'-dipyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.18445 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19173 165.2
[M+Na]+ 293.17367 169.5
[M-H]- 269.17717 170.9
[M+NH4]+ 288.21827 178.9
[M+K]+ 309.14761 167.2
[M+H-H2O]+ 253.18171 154.3
[M+HCOO]- 315.18265 189.3
[M+CH3COO]- 329.19830 209.9
[M+Na-2H]- 291.15912 172.0
[M]+ 270.18390 167.1
[M]- 270.18500 167.1
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.