CID 212057

R.543

Structural Information

Molecular Formula
C17H32N4
SMILES
CCN(CC)CCN(CCN(CC)CC)C1=CC=CC=N1
InChI
InChI=1S/C17H32N4/c1-5-19(6-2)13-15-21(16-14-20(7-3)8-4)17-11-9-10-12-18-17/h9-12H,5-8,13-16H2,1-4H3
InChIKey
WYFSACRJAFLJQO-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.26998 176.0
[M+Na]+ 315.25192 184.8
[M+NH4]+ 310.29652 183.2
[M+K]+ 331.22586 177.8
[M-H]- 291.25542 179.9
[M+Na-2H]- 313.23737 181.9
[M]+ 292.26215 178.1
[M]- 292.26325 178.1
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.