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]+ 233.128466 152.1
[M+Na]+ 255.110408 162.8
[M-H]- 231.113914 153.4
[M+NH4]+ 250.155013 168.7
[M+K]+ 271.084348 158.4
[M+H-H2O]+ 215.118450 144.7
[M+HCOO]- 277.119391 171.6
[M+CH3COO]- 291.135041 191.6
[M+Na-2H]- 253.095856 158.1
[M]+ 232.12064142 155.2
[M]- 232.12173858 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