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

10
Patents

222.05598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.063256 144.5
[M+Na]+ 245.045198 157.3
[M-H]- 221.048704 147.1
[M+NH4]+ 240.089803 163.1
[M+K]+ 261.019138 152.0
[M+H-H2O]+ 205.053240 137.9
[M+HCOO]- 267.054181 161.4
[M+CH3COO]- 281.069831 189.8
[M+Na-2H]- 243.030646 151.6
[M]+ 222.05543142 149.2
[M]- 222.05652858 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