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]+ 337.094956 174.1
[M+Na]+ 359.076898 181.9
[M-H]- 335.080404 176.8
[M+NH4]+ 354.121503 185.4
[M+K]+ 375.050838 176.8
[M+H-H2O]+ 319.084940 166.1
[M+HCOO]- 381.085881 185.7
[M+CH3COO]- 395.101531 206.4
[M+Na-2H]- 357.062346 173.5
[M]+ 336.08713142 176.2
[M]- 336.08822858 176.2
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.