CID 2872655

Ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C16H17FN2O4
SMILES
CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2F)C(=O)C)C
InChI
InChI=1S/C16H17FN2O4/c1-4-23-15(21)13-9(2)18-16(22)19(10(3)20)14(13)11-7-5-6-8-12(11)17/h5-8,14H,4H2,1-3H3,(H,18,22)
InChIKey
NYZDFDPRHMDURQ-UHFFFAOYSA-N
Compound name
ethyl 3-acetyl-4-(2-fluorophenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.11725 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12453 172.1
[M+Na]+ 343.10647 180.2
[M-H]- 319.10997 173.9
[M+NH4]+ 338.15107 183.3
[M+K]+ 359.08041 176.3
[M+H-H2O]+ 303.11451 162.8
[M+HCOO]- 365.11545 187.1
[M+CH3COO]- 379.13110 206.8
[M+Na-2H]- 341.09192 170.5
[M]+ 320.11670 171.4
[M]- 320.11780 171.4
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.