CID 212064

23845-99-0

Structural Information

Molecular Formula
C18H33N3
SMILES
CCCCCCN(CCN(CC)CC)C1=C(C=CC=N1)C
InChI
InChI=1S/C18H33N3/c1-5-8-9-10-14-21(16-15-20(6-2)7-3)18-17(4)12-11-13-19-18/h11-13H,5-10,14-16H2,1-4H3
InChIKey
NVJARSBDDAQWPA-UHFFFAOYSA-N
Compound name
N,N-diethyl-N'-hexyl-N'-(3-methylpyridin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.26746 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.27474 176.7
[M+Na]+ 314.25668 186.7
[M+NH4]+ 309.30128 184.0
[M+K]+ 330.23062 178.7
[M-H]- 290.26018 180.0
[M+Na-2H]- 312.24213 182.2
[M]+ 291.26691 178.9
[M]- 291.26801 178.9
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.