CID 3053807

4h-pyrido(1,2-a)pyrimidin-4-one, 7-chloro-3-ethyl-2-methyl-, monohydrochloride

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
CCC1=C(N=C2C=CC(=CN2C1=O)Cl)C
InChI
InChI=1S/C11H11ClN2O/c1-3-9-7(2)13-10-5-4-8(12)6-14(10)11(9)15/h4-6H,3H2,1-2H3
InChIKey
IUNLOULNXPRKSP-UHFFFAOYSA-N
Compound name
7-chloro-3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

222.05598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 144.5
[M+Na]+ 245.04520 157.3
[M-H]- 221.04870 147.1
[M+NH4]+ 240.08980 163.1
[M+K]+ 261.01914 152.0
[M+H-H2O]+ 205.05324 137.9
[M+HCOO]- 267.05418 161.4
[M+CH3COO]- 281.06983 189.8
[M+Na-2H]- 243.03065 151.6
[M]+ 222.05543 149.2
[M]- 222.05653 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe