CID 3038171

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

Structural Information

Molecular Formula
C11H18N4O2S
SMILES
CCCCNC(=S)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C11H18N4O2S/c1-4-5-6-12-10(18)13-8-7-9(16)15(3)11(17)14(8)2/h7H,4-6H2,1-3H3,(H2,12,13,18)
InChIKey
PWMFGTKGMOAWGK-UHFFFAOYSA-N
Compound name
1-butyl-3-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)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 160.5
[M+Na]+ 293.10427 169.5
[M-H]- 269.10777 162.3
[M+NH4]+ 288.14887 175.1
[M+K]+ 309.07821 165.0
[M+H-H2O]+ 253.11231 152.8
[M+HCOO]- 315.11325 178.3
[M+CH3COO]- 329.12890 202.4
[M+Na-2H]- 291.08972 161.4
[M]+ 270.11450 164.1
[M]- 270.11560 164.1
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