CID 3053745

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

Structural Information

Molecular Formula
C11H12N2O
SMILES
CCC1=C(N=C2C=CC=CN2C1=O)C
InChI
InChI=1S/C11H12N2O/c1-3-9-8(2)12-10-6-4-5-7-13(10)11(9)14/h4-7H,3H2,1-2H3
InChIKey
DKKRVLCXVRLMMU-UHFFFAOYSA-N
Compound name
3-ethyl-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

188.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 138.9
[M+Na]+ 211.08418 150.1
[M-H]- 187.08768 141.5
[M+NH4]+ 206.12878 157.7
[M+K]+ 227.05812 146.4
[M+H-H2O]+ 171.09222 131.5
[M+HCOO]- 233.09316 160.4
[M+CH3COO]- 247.10881 184.8
[M+Na-2H]- 209.06963 147.2
[M]+ 188.09441 141.2
[M]- 188.09551 141.2
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