CID 2736249

5,6-dimethyl-2-thiouracil

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CC1=C(NC(=S)NC1=O)C
InChI
InChI=1S/C6H8N2OS/c1-3-4(2)7-6(10)8-5(3)9/h1-2H3,(H2,7,8,9,10)
InChIKey
MEAKRQUSGACTFV-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

176
Patents

156.03574 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 127.9
[M+Na]+ 179.024958 139.4
[M-H]- 155.028464 127.5
[M+NH4]+ 174.069563 146.3
[M+K]+ 194.998898 134.2
[M+H-H2O]+ 139.033000 122.5
[M+HCOO]- 201.033941 143.1
[M+CH3COO]- 215.049591 170.2
[M+Na-2H]- 177.010406 131.0
[M]+ 156.03519142 127.3
[M]- 156.03628858 127.3
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