CID 3053749

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

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCCCC1=C(N=C2C=CC=CN2C1=O)C
InChI
InChI=1S/C13H16N2O/c1-3-4-7-11-10(2)14-12-8-5-6-9-15(12)13(11)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey
OHQJFYPNXFAZLB-UHFFFAOYSA-N
Compound name
3-butyl-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

216.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.3
[M+Na]+ 239.11549 158.5
[M-H]- 215.11899 150.5
[M+NH4]+ 234.16009 165.9
[M+K]+ 255.08943 154.4
[M+H-H2O]+ 199.12353 140.5
[M+HCOO]- 261.12447 169.1
[M+CH3COO]- 275.14012 190.8
[M+Na-2H]- 237.10094 155.4
[M]+ 216.12572 151.3
[M]- 216.12682 151.3
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