CID 1712448

Dithiouracil

Structural Information

Molecular Formula
C4H4N2S2
SMILES
C1=CNC(=S)NC1=S
InChI
InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey
ZEQIWKHCJWRNTH-UHFFFAOYSA-N
Compound name
1H-pyrimidine-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

3442
Patents

143.9816 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.98888 120.9
[M+Na]+ 166.97082 131.7
[M-H]- 142.97432 119.8
[M+NH4]+ 162.01542 139.3
[M+K]+ 182.94476 124.9
[M+H-H2O]+ 126.97886 115.7
[M+HCOO]- 188.97980 130.8
[M+CH3COO]- 202.99545 133.5
[M+Na-2H]- 164.95627 123.7
[M]+ 143.98105 118.1
[M]- 143.98215 118.1
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

patents stripe