CID 2794819

Ethyl 6-methyl-2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CCOC(=O)C1=C(NC(=O)NC1=S)C
InChI
InChI=1S/C8H10N2O3S/c1-3-13-7(11)5-4(2)9-8(12)10-6(5)14/h3H2,1-2H3,(H2,9,10,12,14)
InChIKey
FKWPOCBDNMHKCV-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

214.04121 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04849 142.4
[M+Na]+ 237.03043 152.6
[M-H]- 213.03393 141.7
[M+NH4]+ 232.07503 158.1
[M+K]+ 253.00437 147.8
[M+H-H2O]+ 197.03847 136.3
[M+HCOO]- 259.03941 156.5
[M+CH3COO]- 273.05506 179.9
[M+Na-2H]- 235.01588 143.6
[M]+ 214.04066 144.0
[M]- 214.04176 144.0
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

patents stripe