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

literature stripe

Patent stripe

patents stripe