CID 460267

90832-62-5

Structural Information

Molecular Formula

C₁₄H₁₂N₄O

SMILES

CCN1C=CC(=O)C2=CN=C(N=C21)C3=CC=NC=C3

InChI

InChI=1S/C14H12N4O/c1-2-18-8-5-12(19)11-9-16-13(17-14(11)18)10-3-6-15-7-4-10/h3-9H,2H2,1H3

InChIKey

WIHZVXOKFZDDFI-UHFFFAOYSA-N

Compound name

8-ethyl-2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 252.1011 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.10838	158.7
[M+Na]+	275.09032	169.8
[M-H]-	251.09382	161.4
[M+NH4]+	270.13492	171.3
[M+K]+	291.06426	163.8
[M+H-H2O]+	235.09836	147.9
[M+HCOO]-	297.09930	177.5
[M+CH3COO]-	311.11495	170.2
[M+Na-2H]-	273.07577	167.6
[M]+	252.10055	160.2
[M]-	252.10165	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe