CID 251582

Nsc72147

Structural Information

Molecular Formula
C20H31N3
SMILES
CCN(CC)CCCCCCNC1=CC(=CC2=C1N=CC=C2)C
InChI
InChI=1S/C20H31N3/c1-4-23(5-2)14-9-7-6-8-12-21-19-16-17(3)15-18-11-10-13-22-20(18)19/h10-11,13,15-16,21H,4-9,12,14H2,1-3H3
InChIKey
LJVOOWOFPZQKRW-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(6-methylquinolin-8-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2518 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.25908 180.7
[M+Na]+ 336.24102 185.0
[M-H]- 312.24452 183.9
[M+NH4]+ 331.28562 195.4
[M+K]+ 352.21496 180.7
[M+H-H2O]+ 296.24906 171.3
[M+HCOO]- 358.25000 202.6
[M+CH3COO]- 372.26565 219.9
[M+Na-2H]- 334.22647 184.9
[M]+ 313.25125 184.3
[M]- 313.25235 184.3
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.