CID 220272

Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C
InChI
InChI=1S/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,18)
InChIKey
URMNHHAUVFEMIG-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

245
Patents

260.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 160.3
[M+Na]+ 283.105318 166.9
[M-H]- 259.108824 161.4
[M+NH4]+ 278.149923 172.8
[M+K]+ 299.079258 162.3
[M+H-H2O]+ 243.113360 152.0
[M+HCOO]- 305.114301 176.1
[M+CH3COO]- 319.129951 191.4
[M+Na-2H]- 281.090766 162.1
[M]+ 260.11555142 157.2
[M]- 260.11664858 157.2
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