CID 16227225

Ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C14H14Cl2N2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CCl
InChI
InChI=1S/C14H14Cl2N2O3/c1-2-21-13(19)11-10(7-15)17-14(20)18-12(11)8-3-5-9(16)6-4-8/h3-6,12H,2,7H2,1H3,(H2,17,18,20)
InChIKey
AYKPHOAZINULIC-UHFFFAOYSA-N
Compound name
ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.03815 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.04543 169.0
[M+Na]+ 351.02737 177.5
[M-H]- 327.03087 169.6
[M+NH4]+ 346.07197 180.5
[M+K]+ 367.00131 170.3
[M+H-H2O]+ 311.03541 162.1
[M+HCOO]- 373.03635 175.2
[M+CH3COO]- 387.05200 200.8
[M+Na-2H]- 349.01282 169.2
[M]+ 328.03760 169.5
[M]- 328.03870 169.5
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

No patent data available for this compound.