CID 478697

Chembl40300

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)NC
InChI
InChI=1S/C18H17N3O2/c1-3-21-11-15(18(23)19-2)17(22)14-5-4-13(10-16(14)21)12-6-8-20-9-7-12/h4-11H,3H2,1-2H3,(H,19,23)
InChIKey
MRDMMDBPKKZRCW-UHFFFAOYSA-N
Compound name
1-ethyl-N-methyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

307.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 172.4
[M+Na]+ 330.12130 181.6
[M-H]- 306.12480 177.8
[M+NH4]+ 325.16590 185.4
[M+K]+ 346.09524 176.1
[M+H-H2O]+ 290.12934 162.5
[M+HCOO]- 352.13028 193.2
[M+CH3COO]- 366.14593 209.5
[M+Na-2H]- 328.10675 177.9
[M]+ 307.13153 174.1
[M]- 307.13263 174.1
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.