CID 16256621

871478-60-3

Structural Information

Molecular Formula
C16H17ClN2O4
SMILES
CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2)C(=O)CCl)C
InChI
InChI=1S/C16H17ClN2O4/c1-3-23-15(21)13-10(2)18-16(22)19(12(20)9-17)14(13)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H,18,22)
InChIKey
ZIAFJUBQFIWIHC-UHFFFAOYSA-N
Compound name
ethyl 3-(2-chloroacetyl)-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.08768 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09496 175.2
[M+Na]+ 359.07690 187.8
[M+NH4]+ 354.12150 180.3
[M+K]+ 375.05084 182.3
[M-H]- 335.08040 175.8
[M+Na-2H]- 357.06235 179.5
[M]+ 336.08713 177.1
[M]- 336.08823 177.1
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.