CID 3063171

5-butyl-6-propyl-2-thiouracil

Structural Information

Molecular Formula
C11H18N2OS
SMILES
CCCCC1=C(NC(=S)NC1=O)CCC
InChI
InChI=1S/C11H18N2OS/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H2,1-2H3,(H2,12,13,14,15)
InChIKey
VURDXXXEUABMQP-UHFFFAOYSA-N
Compound name
5-butyl-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

226.11398 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12126 149.6
[M+Na]+ 249.10320 158.8
[M-H]- 225.10670 148.2
[M+NH4]+ 244.14780 165.1
[M+K]+ 265.07714 152.4
[M+H-H2O]+ 209.11124 143.1
[M+HCOO]- 271.11218 163.1
[M+CH3COO]- 285.12783 185.3
[M+Na-2H]- 247.08865 150.2
[M]+ 226.11343 150.8
[M]- 226.11453 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe