CID 667493

Methylthiouracil

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CC1=CC(=O)NC(=S)N1
InChI
InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKey
HWGBHCRJGXAGEU-UHFFFAOYSA-N
Compound name
6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1008
References

2272
Patents

142.02008 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 126.3
[M+Na]+ 165.00930 139.2
[M+NH4]+ 160.05390 133.9
[M+K]+ 180.98324 131.7
[M-H]- 141.01280 126.3
[M+Na-2H]- 162.99475 131.6
[M]+ 142.01953 128.4
[M]- 142.02063 128.4
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