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 177.7
[M+Na]+ 315.25192 179.5
[M-H]- 291.25542 182.5
[M+NH4]+ 310.29652 192.7
[M+K]+ 331.22586 179.6
[M+H-H2O]+ 275.25996 167.5
[M+HCOO]- 337.26090 202.8
[M+CH3COO]- 351.27655 223.2
[M+Na-2H]- 313.23737 180.4
[M]+ 292.26215 182.6
[M]- 292.26325 182.6
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.