CID 3053739

4h-pyrido(1,2-a)pyrimidin-4-one, 2,3,6-trimethyl-, monohydrochloride

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC=CC2=NC(=C(C(=O)N12)C)C
InChI
InChI=1S/C11H12N2O/c1-7-5-4-6-10-12-9(3)8(2)11(14)13(7)10/h4-6H,1-3H3
InChIKey
PTLAJSCPOPLPHI-UHFFFAOYSA-N
Compound name
2,3,6-trimethylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 138.7
[M+Na]+ 211.084178 150.8
[M-H]- 187.087684 141.7
[M+NH4]+ 206.128783 157.8
[M+K]+ 227.058118 147.2
[M+H-H2O]+ 171.092220 131.6
[M+HCOO]- 233.093161 160.2
[M+CH3COO]- 247.108811 186.0
[M+Na-2H]- 209.069626 146.3
[M]+ 188.09441142 141.4
[M]- 188.09550858 141.4
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