CID 453069

133671-63-3

Structural Information

Molecular Formula
C18H20N4
SMILES
CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3
InChI
InChI=1S/C18H20N4/c1-22(2)12-11-20-18-13-17(14-7-9-19-10-8-14)21-16-6-4-3-5-15(16)18/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKey
ULQPITQRWIPCEM-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(2-pyridin-4-ylquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

292.1688 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.176076 169.4
[M+Na]+ 315.158018 175.9
[M-H]- 291.161524 175.2
[M+NH4]+ 310.202623 182.9
[M+K]+ 331.131958 171.0
[M+H-H2O]+ 275.166060 158.7
[M+HCOO]- 337.167001 192.0
[M+CH3COO]- 351.182651 180.1
[M+Na-2H]- 313.143466 177.5
[M]+ 292.16825142 170.1
[M]- 292.16934858 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.