CID 478695

Chembl40398

Structural Information

Molecular Formula
C20H14N4O2
SMILES
C1=CC2=C(C=C1C3=CC=NC=C3)N(C=C(C2=O)C(=O)N)C4=CC=NC=C4
InChI
InChI=1S/C20H14N4O2/c21-20(26)17-12-24(15-5-9-23-10-6-15)18-11-14(1-2-16(18)19(17)25)13-3-7-22-8-4-13/h1-12H,(H2,21,26)
InChIKey
PMBWPLASBHIUPW-UHFFFAOYSA-N
Compound name
4-oxo-1,7-dipyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

342.11166 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11894 181.8
[M+Na]+ 365.10088 191.1
[M-H]- 341.10438 188.4
[M+NH4]+ 360.14548 190.7
[M+K]+ 381.07482 183.8
[M+H-H2O]+ 325.10892 169.8
[M+HCOO]- 387.10986 200.8
[M+CH3COO]- 401.12551 191.5
[M+Na-2H]- 363.08633 187.8
[M]+ 342.11111 180.9
[M]- 342.11221 180.9
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.