CID 121768

30238-41-6

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CCN1C=C(C(=O)N2C1CCCC2C)C(=O)OCC
InChI
InChI=1S/C14H22N2O3/c1-4-15-9-11(14(18)19-5-2)13(17)16-10(3)7-6-8-12(15)16/h9-10,12H,4-8H2,1-3H3
InChIKey
DZCPIPIKEVVNLF-UHFFFAOYSA-N
Compound name
ethyl 1-ethyl-6-methyl-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

266.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 163.1
[M+Na]+ 289.152278 169.6
[M-H]- 265.155784 164.0
[M+NH4]+ 284.196883 178.4
[M+K]+ 305.126218 167.2
[M+H-H2O]+ 249.160320 155.3
[M+HCOO]- 311.161261 177.3
[M+CH3COO]- 325.176911 200.1
[M+Na-2H]- 287.137726 164.0
[M]+ 266.16251142 162.6
[M]- 266.16360858 162.6
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

No patent data available for this compound.