CID 206296

48126-31-4

Structural Information

Molecular Formula
C5H6N4O2S
SMILES
C1=C(C(=O)NC(=O)N1)SC(=N)N
InChI
InChI=1S/C5H6N4O2S/c6-4(7)12-2-1-8-5(11)9-3(2)10/h1H,(H3,6,7)(H2,8,9,10,11)
InChIKey
XCLSLHVONHVDGT-UHFFFAOYSA-N
Compound name
(2,4-dioxo-1H-pyrimidin-5-yl) carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02115 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02843 135.4
[M+Na]+ 209.01037 144.5
[M+NH4]+ 204.05497 140.8
[M+K]+ 224.98431 139.6
[M-H]- 185.01387 134.7
[M+Na-2H]- 206.99582 138.9
[M]+ 186.02060 136.3
[M]- 186.02170 136.3
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.