CID 331544

Nsc324623

Structural Information

Molecular Formula
C20H13N3O2
SMILES
C1=CC=NC(=C1)C2=CC(=C3C=CC=CN3C2=O)C(=O)C4=CN=CC=C4
InChI
InChI=1S/C20H13N3O2/c24-19(14-6-5-9-21-13-14)16-12-15(17-7-1-3-10-22-17)20(25)23-11-4-2-8-18(16)23/h1-13H
InChIKey
TWPLDXHBNFYCJP-UHFFFAOYSA-N
Compound name
1-(pyridine-3-carbonyl)-3-pyridin-2-ylquinolizin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10077 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10805 177.4
[M+Na]+ 350.08999 186.6
[M-H]- 326.09349 184.1
[M+NH4]+ 345.13459 187.1
[M+K]+ 366.06393 179.5
[M+H-H2O]+ 310.09803 165.2
[M+HCOO]- 372.09897 195.9
[M+CH3COO]- 386.11462 187.5
[M+Na-2H]- 348.07544 184.4
[M]+ 327.10022 177.5
[M]- 327.10132 177.5
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.