CID 59532554

3-butyl-9-hydroxy-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCCCC1=C(N=C2C(=CC=CN2C1=O)O)C
InChI
InChI=1S/C13H16N2O2/c1-3-4-6-10-9(2)14-12-11(16)7-5-8-15(12)13(10)17/h5,7-8,16H,3-4,6H2,1-2H3
InChIKey
HPBMSAUODPCENM-UHFFFAOYSA-N
Compound name
3-butyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.1
[M+Na]+ 255.11041 162.8
[M-H]- 231.11391 153.4
[M+NH4]+ 250.15501 168.7
[M+K]+ 271.08435 158.4
[M+H-H2O]+ 215.11845 144.7
[M+HCOO]- 277.11939 171.6
[M+CH3COO]- 291.13504 191.6
[M+Na-2H]- 253.09586 158.1
[M]+ 232.12064 155.2
[M]- 232.12174 155.2
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