CID 94959

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

Structural Information

Molecular Formula
C8H5ClN2O
SMILES
C1=CC2=NC(=CC(=O)N2C=C1)Cl
InChI
InChI=1S/C8H5ClN2O/c9-6-5-8(12)11-4-2-1-3-7(11)10-6/h1-5H
InChIKey
CGGMQFDVKUHJED-UHFFFAOYSA-N
Compound name
2-chloropyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

40
Patents

180.00903 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.016306 130.5
[M+Na]+ 202.998248 142.7
[M-H]- 179.001754 132.8
[M+NH4]+ 198.042853 150.1
[M+K]+ 218.972188 138.1
[M+H-H2O]+ 163.006290 124.0
[M+HCOO]- 225.007231 148.4
[M+CH3COO]- 239.022881 144.8
[M+Na-2H]- 200.983696 140.7
[M]+ 180.00848142 133.3
[M]- 180.00957858 133.3
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