CID 16077253

5-pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-[4-(oxiranylmethoxy)phenyl]-2-oxo-, ethyl ester

Structural Information

Molecular Formula
C17H20N2O5
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OCC3CO3)C
InChI
InChI=1S/C17H20N2O5/c1-3-22-16(20)14-10(2)18-17(21)19-15(14)11-4-6-12(7-5-11)23-8-13-9-24-13/h4-7,13,15H,3,8-9H2,1-2H3,(H2,18,19,21)
InChIKey
VIULVYPNRHDFHB-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-4-[4-(oxiran-2-ylmethoxy)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 180.7
[M+Na]+ 355.12642 188.7
[M-H]- 331.12992 186.2
[M+NH4]+ 350.17102 184.6
[M+K]+ 371.10036 184.1
[M+H-H2O]+ 315.13446 171.5
[M+HCOO]- 377.13540 195.5
[M+CH3COO]- 391.15105 207.3
[M+Na-2H]- 353.11187 181.3
[M]+ 332.13665 183.8
[M]- 332.13775 183.8
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.