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

19
Patents

216.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 148.3
[M+Na]+ 239.115488 158.5
[M-H]- 215.118994 150.5
[M+NH4]+ 234.160093 165.9
[M+K]+ 255.089428 154.4
[M+H-H2O]+ 199.123530 140.5
[M+HCOO]- 261.124471 169.1
[M+CH3COO]- 275.140121 190.8
[M+Na-2H]- 237.100936 155.4
[M]+ 216.12572142 151.3
[M]- 216.12681858 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