CID 18713861

Sodium (6-hydroxy-5-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanide

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
CC1=C(NC(=S)NC1=O)O
InChI
InChI=1S/C5H6N2O2S/c1-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10)
InChIKey
JSOFIJCZFNMFQH-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

158.015 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.022276 127.8
[M+Na]+ 181.004218 139.0
[M-H]- 157.007724 126.0
[M+NH4]+ 176.048823 145.2
[M+K]+ 196.978158 133.6
[M+H-H2O]+ 141.012260 122.6
[M+HCOO]- 203.013201 142.0
[M+CH3COO]- 217.028851 166.8
[M+Na-2H]- 178.989666 130.9
[M]+ 158.01445142 126.4
[M]- 158.01554858 126.4
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.