CID 720471

636-26-0

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CC1=CNC(=S)NC1=O
InChI
InChI=1S/C5H6N2OS/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKey
ZLAQATDNGLKIEV-UHFFFAOYSA-N
Compound name
5-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

51724
Patents

142.02008 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.027356 123.8
[M+Na]+ 165.009298 134.9
[M-H]- 141.012804 123.2
[M+NH4]+ 160.053903 142.5
[M+K]+ 180.983238 129.9
[M+H-H2O]+ 125.017340 118.4
[M+HCOO]- 187.018281 139.4
[M+CH3COO]- 201.033931 165.9
[M+Na-2H]- 162.994746 128.1
[M]+ 142.01953142 122.5
[M]- 142.02062858 122.5
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