CID 7131618

2,7-dichloro-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C8H4Cl2N2O
SMILES
C1=CC2=NC(=CC(=O)N2C=C1Cl)Cl
InChI
InChI=1S/C8H4Cl2N2O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H
InChIKey
NTUDDGZNPQEOQZ-UHFFFAOYSA-N
Compound name
2,7-dichloropyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

213.97006 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.977336 135.9
[M+Na]+ 236.959278 149.2
[M-H]- 212.962784 137.7
[M+NH4]+ 232.003883 154.7
[M+K]+ 252.933218 143.5
[M+H-H2O]+ 196.967320 130.0
[M+HCOO]- 258.968261 148.5
[M+CH3COO]- 272.983911 149.7
[M+Na-2H]- 234.944726 144.5
[M]+ 213.96951142 140.0
[M]- 213.97060858 140.0
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