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

21
Patents

214.04121 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.048486 142.4
[M+Na]+ 237.030428 152.6
[M-H]- 213.033934 141.7
[M+NH4]+ 232.075033 158.1
[M+K]+ 253.004368 147.8
[M+H-H2O]+ 197.038470 136.3
[M+HCOO]- 259.039411 156.5
[M+CH3COO]- 273.055061 179.9
[M+Na-2H]- 235.015876 143.6
[M]+ 214.04066142 144.0
[M]- 214.04175858 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