CID 650850

Methyl 1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC1=C(C(NC(=O)N1C)C2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C14H16N2O3/c1-9-11(13(17)19-3)12(15-14(18)16(9)2)10-7-5-4-6-8-10/h4-8,12H,1-3H3,(H,15,18)
InChIKey
DTFSIMUYNDCTMM-UHFFFAOYSA-N
Compound name
methyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 159.3
[M+Na]+ 283.105318 167.4
[M-H]- 259.108824 162.3
[M+NH4]+ 278.149923 173.0
[M+K]+ 299.079258 163.7
[M+H-H2O]+ 243.113360 151.0
[M+HCOO]- 305.114301 176.7
[M+CH3COO]- 319.129951 195.1
[M+Na-2H]- 281.090766 161.0
[M]+ 260.11555142 158.5
[M]- 260.11664858 158.5
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

No patent data available for this compound.