CID 3038174

Uracil, 1,3-dimethyl-5-(isobutylthiourea)-

Structural Information

Molecular Formula
C11H18N4O2S
SMILES
CC(C)CNC(=S)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C11H18N4O2S/c1-7(2)6-12-10(18)13-8-5-9(16)15(4)11(17)14(8)3/h5,7H,6H2,1-4H3,(H2,12,13,18)
InChIKey
PSOHZGLOZDFRHJ-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(2-methylpropyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11505 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12233 162.8
[M+Na]+ 293.10427 172.5
[M+NH4]+ 288.14887 167.9
[M+K]+ 309.07821 166.4
[M-H]- 269.10777 163.0
[M+Na-2H]- 291.08972 165.6
[M]+ 270.11450 164.3
[M]- 270.11560 164.3
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

No patent data available for this compound.