CID 354785

4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC2=NC=CC(=O)N2C=C1
InChI
InChI=1S/C8H6N2O/c11-8-4-5-9-7-3-1-2-6-10(7)8/h1-6H
InChIKey
NYJWYCAHJRGKMI-UHFFFAOYSA-N
Compound name
pyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1692
Patents

146.04802 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 124.9
[M+Na]+ 169.03724 135.5
[M-H]- 145.04074 127.2
[M+NH4]+ 164.08184 144.8
[M+K]+ 185.01118 132.6
[M+H-H2O]+ 129.04528 117.7
[M+HCOO]- 191.04622 147.5
[M+CH3COO]- 205.06187 139.3
[M+Na-2H]- 167.02269 136.4
[M]+ 146.04747 125.3
[M]- 146.04857 125.3
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