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]+ 295.08440 165.0
[M+Na]+ 317.06634 172.3
[M-H]- 293.06984 166.0
[M+NH4]+ 312.11094 177.1
[M+K]+ 333.04028 166.2
[M+H-H2O]+ 277.07438 157.3
[M+HCOO]- 339.07532 176.3
[M+CH3COO]- 353.09097 195.1
[M+Na-2H]- 315.05179 166.5
[M]+ 294.07657 164.0
[M]- 294.07767 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.