CID 3349587

475042-38-7

Structural Information

Molecular Formula
C15H17ClN2O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CCl
InChI
InChI=1S/C15H17ClN2O4/c1-3-22-14(19)12-11(8-16)17-15(20)18-13(12)9-4-6-10(21-2)7-5-9/h4-7,13H,3,8H2,1-2H3,(H2,17,18,20)
InChIKey
KRXMBPNXXZLNMZ-UHFFFAOYSA-N
Compound name
ethyl 6-(chloromethyl)-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08768 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09496 171.8
[M+Na]+ 347.07690 179.4
[M-H]- 323.08040 173.0
[M+NH4]+ 342.12150 182.9
[M+K]+ 363.05084 173.8
[M+H-H2O]+ 307.08494 164.0
[M+HCOO]- 369.08588 182.9
[M+CH3COO]- 383.10153 201.6
[M+Na-2H]- 345.06235 172.2
[M]+ 324.08713 173.0
[M]- 324.08823 173.0
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

No patent data available for this compound.