CID 478775

Chembl85426

Structural Information

Molecular Formula
C18H14N4O
SMILES
CCN1C=C2C(=NC=NC2=O)C3=C1C=C(C=C3)C4=CC=NC=C4
InChI
InChI=1S/C18H14N4O/c1-2-22-10-15-17(20-11-21-18(15)23)14-4-3-13(9-16(14)22)12-5-7-19-8-6-12/h3-11H,2H2,1H3
InChIKey
WHTPUOOAEJANJH-UHFFFAOYSA-N
Compound name
6-ethyl-8-pyridin-4-ylpyrimido[5,4-c]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.11676 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 173.9
[M+Na]+ 325.10598 185.3
[M-H]- 301.10948 177.3
[M+NH4]+ 320.15058 185.2
[M+K]+ 341.07992 177.5
[M+H-H2O]+ 285.11402 161.9
[M+HCOO]- 347.11496 190.8
[M+CH3COO]- 361.13061 184.3
[M+Na-2H]- 323.09143 182.6
[M]+ 302.11621 175.5
[M]- 302.11731 175.5
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.