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
1
Annotation Hits

5
References

19
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

literature stripe

Patent stripe

patents stripe