CID 212058

23826-84-8

Structural Information

Molecular Formula
C16H30N4
SMILES
CCN(CC)CCN(CCCN(C)C)C1=CC=CC=N1
InChI
InChI=1S/C16H30N4/c1-5-19(6-2)14-15-20(13-9-12-18(3)4)16-10-7-8-11-17-16/h7-8,10-11H,5-6,9,12-15H2,1-4H3
InChIKey
HHQQNXLQFWSOIL-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-N,N-dimethyl-N'-pyridin-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.24704 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.25432 173.2
[M+Na]+ 301.23626 175.4
[M-H]- 277.23976 178.1
[M+NH4]+ 296.28086 188.7
[M+K]+ 317.21020 175.7
[M+H-H2O]+ 261.24430 163.2
[M+HCOO]- 323.24524 198.6
[M+CH3COO]- 337.26089 220.2
[M+Na-2H]- 299.22171 176.4
[M]+ 278.24649 177.6
[M]- 278.24759 177.6
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.