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]+ 314.259076 180.7
[M+Na]+ 336.241018 185.0
[M-H]- 312.244524 183.9
[M+NH4]+ 331.285623 195.4
[M+K]+ 352.214958 180.7
[M+H-H2O]+ 296.249060 171.3
[M+HCOO]- 358.250001 202.6
[M+CH3COO]- 372.265651 219.9
[M+Na-2H]- 334.226466 184.9
[M]+ 313.25125142 184.3
[M]- 313.25234858 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.