CID 3053805

2,6-dimethyl-3-n-propyl-4-oxo-4h-pyrido(1,2-a)pyrimidine hydrochloride

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCCC1=C(N=C2C=CC=C(N2C1=O)C)C
InChI
InChI=1S/C13H16N2O/c1-4-6-11-10(3)14-12-8-5-7-9(2)15(12)13(11)16/h5,7-8H,4,6H2,1-3H3
InChIKey
BPOGUAJJLZRRAQ-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-propylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

216.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.1
[M+Na]+ 239.11549 159.3
[M-H]- 215.11899 150.7
[M+NH4]+ 234.16009 166.1
[M+K]+ 255.08943 155.2
[M+H-H2O]+ 199.12353 140.6
[M+HCOO]- 261.12447 168.9
[M+CH3COO]- 275.14012 192.0
[M+Na-2H]- 237.10094 154.5
[M]+ 216.12572 151.5
[M]- 216.12682 151.5
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