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 160.6
[M+Na]+ 293.10427 169.3
[M-H]- 269.10777 162.5
[M+NH4]+ 288.14887 175.0
[M+K]+ 309.07821 165.3
[M+H-H2O]+ 253.11231 153.0
[M+HCOO]- 315.11325 177.3
[M+CH3COO]- 329.12890 203.3
[M+Na-2H]- 291.08972 160.4
[M]+ 270.11450 163.6
[M]- 270.11560 163.6
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.