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
1
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]+ 144.02262 126.2
[M+Na]+ 166.00456 135.1
[M-H]- 142.00806 125.7
[M+NH4]+ 161.04916 144.5
[M+K]+ 181.97850 131.3
[M+H-H2O]+ 126.01260 120.1
[M+HCOO]- 188.01354 141.0
[M+CH3COO]- 202.02919 170.3
[M+Na-2H]- 163.99001 129.0
[M]+ 143.01479 121.8
[M]- 143.01589 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.