CID 207591

30238-40-5

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CCOC(=O)C1=CN(C2CCCC(N2C1=O)C)C
InChI
InChI=1S/C13H20N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h8-9,11H,4-7H2,1-3H3
InChIKey
GLHCZAOYBZLTCB-UHFFFAOYSA-N
Compound name
ethyl 1,6-dimethyl-4-oxo-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 158.5
[M+Na]+ 275.13662 165.4
[M-H]- 251.14012 159.7
[M+NH4]+ 270.18122 174.4
[M+K]+ 291.11056 163.3
[M+H-H2O]+ 235.14466 151.0
[M+HCOO]- 297.14560 173.1
[M+CH3COO]- 311.16125 197.1
[M+Na-2H]- 273.12207 159.9
[M]+ 252.14685 157.7
[M]- 252.14795 157.7
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