CID 1540617

5-ethyl-6-methyl-2-thiouracil

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CCC1=C(NC(=S)NC1=O)C
InChI
InChI=1S/C7H10N2OS/c1-3-5-4(2)8-7(11)9-6(5)10/h3H2,1-2H3,(H2,8,9,10,11)
InChIKey
UMBJMJGRRXHYBN-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

170.05139 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 132.3
[M+Na]+ 193.040608 143.3
[M-H]- 169.044114 131.7
[M+NH4]+ 188.085213 150.1
[M+K]+ 209.014548 137.8
[M+H-H2O]+ 153.048650 126.6
[M+HCOO]- 215.049591 147.1
[M+CH3COO]- 229.065241 173.2
[M+Na-2H]- 191.026056 134.9
[M]+ 170.05084142 132.0
[M]- 170.05193858 132.0
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