CID 1275982

6-amino-2,5-dihydro-2-thioxo-3h-pyrimidin-4-one

Structural Information

Molecular Formula
C4H5N3OS
SMILES
C1C(=NC(=S)NC1=O)N
InChI
InChI=1S/C4H5N3OS/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)
InChIKey
MXSAOUYLOGZLEQ-UHFFFAOYSA-N
Compound name
6-amino-2-sulfanylidene-5H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

143.01534 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.022616 126.2
[M+Na]+ 166.004558 135.1
[M-H]- 142.008064 125.7
[M+NH4]+ 161.049163 144.5
[M+K]+ 181.978498 131.3
[M+H-H2O]+ 126.012600 120.1
[M+HCOO]- 188.013541 141.0
[M+CH3COO]- 202.029191 170.3
[M+Na-2H]- 163.990006 129.0
[M]+ 143.01479142 121.8
[M]- 143.01588858 121.8
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.