CID 214587

Mz-180

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CCOC(=O)C1=CN(C2CCCC(N2C1=O)C)C(=O)OCC
InChI
InChI=1S/C15H22N2O5/c1-4-21-14(19)11-9-16(15(20)22-5-2)12-8-6-7-10(3)17(12)13(11)18/h9-10,12H,4-8H2,1-3H3
InChIKey
GWPXTDUBJRCQNE-UHFFFAOYSA-N
Compound name
diethyl 6-methyl-4-oxo-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a]pyrimidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15286 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 171.0
[M+Na]+ 333.14208 176.9
[M-H]- 309.14558 171.9
[M+NH4]+ 328.18668 184.3
[M+K]+ 349.11602 175.5
[M+H-H2O]+ 293.15012 163.2
[M+HCOO]- 355.15106 184.5
[M+CH3COO]- 369.16671 206.3
[M+Na-2H]- 331.12753 170.7
[M]+ 310.15231 172.4
[M]- 310.15341 172.4
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.