CID 478707

Chembl416799

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)NCCN
InChI
InChI=1S/C19H20N4O2/c1-2-23-12-16(19(25)22-10-7-20)18(24)15-4-3-14(11-17(15)23)13-5-8-21-9-6-13/h3-6,8-9,11-12H,2,7,10,20H2,1H3,(H,22,25)
InChIKey
BZRJKAQQHOUFQL-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-1-ethyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.15863 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 180.8
[M+Na]+ 359.14785 188.6
[M-H]- 335.15135 185.5
[M+NH4]+ 354.19245 191.9
[M+K]+ 375.12179 182.7
[M+H-H2O]+ 319.15589 170.5
[M+HCOO]- 381.15683 201.6
[M+CH3COO]- 395.17248 217.2
[M+Na-2H]- 357.13330 185.5
[M]+ 336.15808 181.3
[M]- 336.15918 181.3
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.