CID 3053743

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

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCC1=C(C(=O)N2C(=CC=CC2=N1)C)C
InChI
InChI=1S/C12H14N2O/c1-4-10-9(3)12(15)14-8(2)6-5-7-11(14)13-10/h5-7H,4H2,1-3H3
InChIKey
LZUPNXMYPFUBNK-UHFFFAOYSA-N
Compound name
2-ethyl-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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

No literature data available for this compound.

Patent stripe

patents stripe