CID 3053747

4h-pyrido(1,2-a)pyrimidin-4-one, 2-methyl-3-propyl-, monohydrochloride

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCCC1=C(N=C2C=CC=CN2C1=O)C
InChI
InChI=1S/C12H14N2O/c1-3-6-10-9(2)13-11-7-4-5-8-14(11)12(10)15/h4-5,7-8H,3,6H2,1-2H3
InChIKey
MJDZARRCOPBQRL-UHFFFAOYSA-N
Compound name
2-methyl-3-propylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

202.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 143.6
[M+Na]+ 225.099828 154.3
[M-H]- 201.103334 146.0
[M+NH4]+ 220.144433 161.8
[M+K]+ 241.073768 150.4
[M+H-H2O]+ 185.107870 136.0
[M+HCOO]- 247.108811 164.8
[M+CH3COO]- 261.124461 187.8
[M+Na-2H]- 223.085276 151.3
[M]+ 202.11006142 146.2
[M]- 202.11115858 146.2
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