CID 93406

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

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCC1=C(N=C2C=CC=C(N2C1=O)C)C
InChI
InChI=1S/C12H14N2O/c1-4-10-9(3)13-11-7-5-6-8(2)14(11)12(10)15/h5-7H,4H2,1-3H3
InChIKey
RCSYPYSJSNRLSK-UHFFFAOYSA-N
Compound name
3-ethyl-2,6-dimethylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
Patents

202.11061 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 143.4
[M+Na]+ 225.09983 155.1
[M-H]- 201.10333 146.2
[M+NH4]+ 220.14443 162.0
[M+K]+ 241.07377 151.2
[M+H-H2O]+ 185.10787 136.1
[M+HCOO]- 247.10881 164.6
[M+CH3COO]- 261.12446 189.0
[M+Na-2H]- 223.08528 150.4
[M]+ 202.11006 146.5
[M]- 202.11116 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe