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]+ 261.12338 159.3
[M+Na]+ 283.10532 167.4
[M-H]- 259.10882 162.3
[M+NH4]+ 278.14992 173.0
[M+K]+ 299.07926 163.7
[M+H-H2O]+ 243.11336 151.0
[M+HCOO]- 305.11430 176.7
[M+CH3COO]- 319.12995 195.1
[M+Na-2H]- 281.09077 161.0
[M]+ 260.11555 158.5
[M]- 260.11665 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.