CID 212051

R.666

Structural Information

Molecular Formula
C17H31N3
SMILES
CCCCCN(CCN(CC)CC)C1=NC=CC(=C1)C
InChI
InChI=1S/C17H31N3/c1-5-8-9-12-20(14-13-19(6-2)7-3)17-15-16(4)10-11-18-17/h10-11,15H,5-9,12-14H2,1-4H3
InChIKey
LALZXPQZLSFVOV-UHFFFAOYSA-N
Compound name
N,N-diethyl-N'-(4-methylpyridin-2-yl)-N'-pentylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.25908 172.2
[M+Na]+ 300.24102 182.5
[M+NH4]+ 295.28562 179.7
[M+K]+ 316.21496 174.7
[M-H]- 276.24452 175.6
[M+Na-2H]- 298.22647 178.0
[M]+ 277.25125 174.5
[M]- 277.25235 174.5
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.