CID 3079295

2-methyl-n-((6-methyl-4-oxo-4h-pyrido(1,2-a)pyrimidin-3-yl)carbonyl)alanine ethyl ester

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CCOC(=O)C(C)(C)NC(=O)C1=CN=C2C=CC=C(N2C1=O)C
InChI
InChI=1S/C16H19N3O4/c1-5-23-15(22)16(3,4)18-13(20)11-9-17-12-8-6-7-10(2)19(12)14(11)21/h6-9H,5H2,1-4H3,(H,18,20)
InChIKey
DOKQYDPGETZTGK-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.13754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 173.2
[M+Na]+ 340.12676 181.2
[M-H]- 316.13026 175.5
[M+NH4]+ 335.17136 185.9
[M+K]+ 356.10070 178.7
[M+H-H2O]+ 300.13480 165.1
[M+HCOO]- 362.13574 191.4
[M+CH3COO]- 376.15139 210.5
[M+Na-2H]- 338.11221 178.2
[M]+ 317.13699 177.6
[M]- 317.13809 177.6
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

patents stripe