CID 478720

Schembl10474313

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC(=C3)C)C)C(=O)N
InChI
InChI=1S/C19H19N3O2/c1-4-22-10-16(19(20)24)18(23)15-6-5-13(9-17(15)22)14-7-11(2)21-12(3)8-14/h5-10H,4H2,1-3H3,(H2,20,24)
InChIKey
SUMAZHCNXYTDNI-UHFFFAOYSA-N
Compound name
7-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

321.14774 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 178.2
[M+Na]+ 344.13696 188.7
[M-H]- 320.14046 183.8
[M+NH4]+ 339.18156 190.9
[M+K]+ 360.11090 182.8
[M+H-H2O]+ 304.14500 168.6
[M+HCOO]- 366.14594 197.9
[M+CH3COO]- 380.16159 215.2
[M+Na-2H]- 342.12241 180.6
[M]+ 321.14719 180.3
[M]- 321.14829 180.3
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.