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

5
Patents

317.13754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.144816 173.2
[M+Na]+ 340.126758 181.2
[M-H]- 316.130264 175.5
[M+NH4]+ 335.171363 185.9
[M+K]+ 356.100698 178.7
[M+H-H2O]+ 300.134800 165.1
[M+HCOO]- 362.135741 191.4
[M+CH3COO]- 376.151391 210.5
[M+Na-2H]- 338.112206 178.2
[M]+ 317.13699142 177.6
[M]- 317.13808858 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