CID 493411

Ethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C
InChI
InChI=1S/C15H18N2O4/c1-4-21-14(18)12-9(2)16-15(19)17-13(12)10-5-7-11(20-3)8-6-10/h5-8,13H,4H2,1-3H3,(H2,16,17,19)
InChIKey
ZBBPICFYDJFWNE-UHFFFAOYSA-N
Compound name
ethyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

21
Patents

290.12665 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 167.4
[M+Na]+ 313.11587 174.3
[M-H]- 289.11937 168.7
[M+NH4]+ 308.16047 178.9
[M+K]+ 329.08981 170.2
[M+H-H2O]+ 273.12391 158.9
[M+HCOO]- 335.12485 183.0
[M+CH3COO]- 349.14050 197.9
[M+Na-2H]- 311.10132 168.1
[M]+ 290.12610 166.5
[M]- 290.12720 166.5
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.