CID 2817097

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

Structural Information

Molecular Formula
C14H14Cl2N2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=C(C=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C14H14Cl2N2O3/c1-3-21-13(19)11-7(2)17-14(20)18-12(11)9-5-4-8(15)6-10(9)16/h4-6,12H,3H2,1-2H3,(H2,17,18,20)
InChIKey
TZGBGBGJHQURTE-UHFFFAOYSA-N
Compound name
ethyl 4-(2,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

328.03815 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04543 169.0
[M+Na]+ 351.02737 178.4
[M-H]- 327.03087 170.0
[M+NH4]+ 346.07197 180.8
[M+K]+ 367.00131 171.3
[M+H-H2O]+ 311.03541 162.4
[M+HCOO]- 373.03635 175.2
[M+CH3COO]- 387.05200 202.1
[M+Na-2H]- 349.01282 168.5
[M]+ 328.03760 170.0
[M]- 328.03870 170.0
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.