CID 28945236

2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)ethanethioamide

Structural Information

Molecular Formula
C6H7N3O2S
SMILES
C1=CN(C(=O)NC1=O)CC(=S)N
InChI
InChI=1S/C6H7N3O2S/c7-4(12)3-9-2-1-5(10)8-6(9)11/h1-2H,3H2,(H2,7,12)(H,8,10,11)
InChIKey
TXXXQEPMYGGPHA-UHFFFAOYSA-N
Compound name
2-(2,4-dioxopyrimidin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0259 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03318 135.0
[M+Na]+ 208.01512 144.8
[M-H]- 184.01862 135.0
[M+NH4]+ 203.05972 151.6
[M+K]+ 223.98906 140.3
[M+H-H2O]+ 168.02316 128.4
[M+HCOO]- 230.02410 151.4
[M+CH3COO]- 244.03975 178.0
[M+Na-2H]- 206.00057 137.6
[M]+ 185.02535 134.1
[M]- 185.02645 134.1
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.