CID 135783091

Jpo 7

Structural Information

Molecular Formula
C12H8N4O
SMILES
C1=CC(=CN=C1)C2=NC3=C(C=CC=N3)C(=O)N2
InChI
InChI=1S/C12H8N4O/c17-12-9-4-2-6-14-11(9)15-10(16-12)8-3-1-5-13-7-8/h1-7H,(H,14,15,16,17)
InChIKey
ZKLWJSLDNKUFSJ-UHFFFAOYSA-N
Compound name
2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.06981 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.077086 149.3
[M+Na]+ 247.059028 160.0
[M-H]- 223.062534 150.6
[M+NH4]+ 242.103633 162.0
[M+K]+ 263.032968 153.5
[M+H-H2O]+ 207.067070 139.1
[M+HCOO]- 269.068011 167.3
[M+CH3COO]- 283.083661 160.7
[M+Na-2H]- 245.044476 159.7
[M]+ 224.06926142 147.9
[M]- 224.07035858 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