CID 2734394

4-thiouracil

Structural Information

Molecular Formula
C4H4N2OS
SMILES
C1=CNC(=O)NC1=S
InChI
InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
InChIKey
OVONXEQGWXGFJD-UHFFFAOYSA-N
Compound name
4-sulfanylidene-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

58
References

53378
Patents

128.00444 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01172 121.6
[M+Na]+ 150.99366 134.3
[M+NH4]+ 146.03826 129.4
[M+K]+ 166.96760 126.9
[M-H]- 126.99716 121.6
[M+Na-2H]- 148.97911 127.4
[M]+ 128.00389 123.6
[M]- 128.00499 123.6
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