CID 5480241

Win48831

Structural Information

Molecular Formula
C12H8N4O
SMILES
C1=CNC2=NC(=NC=C2C1=O)C3=CC=NC=C3
InChI
InChI=1S/C12H8N4O/c17-10-3-6-14-12-9(10)7-15-11(16-12)8-1-4-13-5-2-8/h1-7H,(H,14,15,16,17)
InChIKey
NLPZOVZQLFXGFB-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-8H-pyrido[2,3-d]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

224.06981 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07709 149.3
[M+Na]+ 247.05903 160.0
[M-H]- 223.06253 150.6
[M+NH4]+ 242.10363 162.0
[M+K]+ 263.03297 153.5
[M+H-H2O]+ 207.06707 139.1
[M+HCOO]- 269.06801 167.3
[M+CH3COO]- 283.08366 160.7
[M+Na-2H]- 245.04448 159.7
[M]+ 224.06926 147.9
[M]- 224.07036 147.9
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

patents stripe