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]+ 293.17608 169.4
[M+Na]+ 315.15802 175.9
[M-H]- 291.16152 175.2
[M+NH4]+ 310.20262 182.9
[M+K]+ 331.13196 171.0
[M+H-H2O]+ 275.16606 158.7
[M+HCOO]- 337.16700 192.0
[M+CH3COO]- 351.18265 180.1
[M+Na-2H]- 313.14347 177.5
[M]+ 292.16825 170.1
[M]- 292.16935 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.