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

5
Patents

188.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 138.7
[M+Na]+ 211.08418 150.8
[M-H]- 187.08768 141.7
[M+NH4]+ 206.12878 157.8
[M+K]+ 227.05812 147.2
[M+H-H2O]+ 171.09222 131.6
[M+HCOO]- 233.09316 160.2
[M+CH3COO]- 247.10881 186.0
[M+Na-2H]- 209.06963 146.3
[M]+ 188.09441 141.4
[M]- 188.09551 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