CID 2799158

263157-08-0

Structural Information

Molecular Formula
C14H15ClN2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CCl
InChI
InChI=1S/C14H15ClN2O3/c1-2-20-13(18)11-10(8-15)16-14(19)17-12(11)9-6-4-3-5-7-9/h3-7,12H,2,8H2,1H3,(H2,16,17,19)
InChIKey
BJYPUOCKWBTIGT-UHFFFAOYSA-N
Compound name
ethyl 6-(chloromethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07712 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.084396 165.0
[M+Na]+ 317.066338 172.3
[M-H]- 293.069844 166.0
[M+NH4]+ 312.110943 177.1
[M+K]+ 333.040278 166.2
[M+H-H2O]+ 277.074380 157.3
[M+HCOO]- 339.075321 176.3
[M+CH3COO]- 353.090971 195.1
[M+Na-2H]- 315.051786 166.5
[M]+ 294.07657142 164.0
[M]- 294.07766858 164.0
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.