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

35
Patents

180.00903 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01631 131.0
[M+Na]+ 202.99825 147.9
[M+NH4]+ 198.04285 140.5
[M+K]+ 218.97219 139.9
[M-H]- 179.00175 133.3
[M+Na-2H]- 200.98370 139.8
[M]+ 180.00848 134.5
[M]- 180.00958 134.5
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

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