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
3
Annotation Hits

20
References

49406
Patents

142.02008 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 123.8
[M+Na]+ 165.00930 134.9
[M-H]- 141.01280 123.2
[M+NH4]+ 160.05390 142.5
[M+K]+ 180.98324 129.9
[M+H-H2O]+ 125.01734 118.4
[M+HCOO]- 187.01828 139.4
[M+CH3COO]- 201.03393 165.9
[M+Na-2H]- 162.99475 128.1
[M]+ 142.01953 122.5
[M]- 142.02063 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