CID 4962783

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

Structural Information

Molecular Formula
C12H13ClN2O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CCl
InChI
InChI=1S/C12H13ClN2O4/c1-2-18-11(16)9-7(6-13)14-12(17)15-10(9)8-4-3-5-19-8/h3-5,10H,2,6H2,1H3,(H2,14,15,17)
InChIKey
XHNONBRRPYWXOS-UHFFFAOYSA-N
Compound name
ethyl 6-(chloromethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0564 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06368 161.7
[M+Na]+ 307.04562 169.6
[M-H]- 283.04912 163.7
[M+NH4]+ 302.09022 174.7
[M+K]+ 323.01956 165.5
[M+H-H2O]+ 267.05366 154.6
[M+HCOO]- 329.05460 173.5
[M+CH3COO]- 343.07025 191.3
[M+Na-2H]- 305.03107 162.3
[M]+ 284.05585 162.6
[M]- 284.05695 162.6
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.