CID 296187

299949-24-9

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C)C
InChI
InChI=1S/C15H18N2O3/c1-4-20-14(18)12-10(3)16-15(19)17-13(12)11-7-5-9(2)6-8-11/h5-8,13H,4H2,1-3H3,(H2,16,17,19)
InChIKey
KTAAWYJATJFYRS-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

274.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 164.6
[M+Na]+ 297.120958 171.8
[M-H]- 273.124464 166.1
[M+NH4]+ 292.165563 177.0
[M+K]+ 313.094898 167.1
[M+H-H2O]+ 257.129000 156.4
[M+HCOO]- 319.129941 180.1
[M+CH3COO]- 333.145591 195.7
[M+Na-2H]- 295.106406 165.3
[M]+ 274.13119142 162.3
[M]- 274.13228858 162.3
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

patents stripe