CID 1540618

6-methyl-5-propyl-2-thiouracil

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CCCC1=C(NC(=S)NC1=O)C
InChI
InChI=1S/C8H12N2OS/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKey
XZVYOSIHDWNKKK-UHFFFAOYSA-N
Compound name
6-methyl-5-propyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

184.06703 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 136.6
[M+Na]+ 207.05625 147.2
[M-H]- 183.05975 135.8
[M+NH4]+ 202.10085 153.9
[M+K]+ 223.03019 141.5
[M+H-H2O]+ 167.06429 130.8
[M+HCOO]- 229.06523 151.1
[M+CH3COO]- 243.08088 176.2
[M+Na-2H]- 205.04170 138.7
[M]+ 184.06648 136.7
[M]- 184.06758 136.7
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