CID 214585

Mz-178

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCC(=O)N1C=C(C(=O)N2C1CCCC2C)C(=O)OCC
InChI
InChI=1S/C15H22N2O4/c1-4-13(18)16-9-11(15(20)21-5-2)14(19)17-10(3)7-6-8-12(16)17/h9-10,12H,4-8H2,1-3H3
InChIKey
ACCGTCAIJGCXOV-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-4-oxo-1-propanoyl-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

294.15796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 168.4
[M+Na]+ 317.14718 174.4
[M-H]- 293.15068 169.3
[M+NH4]+ 312.19178 182.3
[M+K]+ 333.12112 172.3
[M+H-H2O]+ 277.15522 160.7
[M+HCOO]- 339.15616 181.7
[M+CH3COO]- 353.17181 204.8
[M+Na-2H]- 315.13263 167.8
[M]+ 294.15741 168.4
[M]- 294.15851 168.4
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.