CID 3038170

Uracil, 1,3-dimethyl-5-(2-methylallylthiourea)-

Structural Information

Molecular Formula
C11H16N4O2S
SMILES
CC(=C)CNC(=S)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C11H16N4O2S/c1-7(2)6-12-10(18)13-8-5-9(16)15(4)11(17)14(8)3/h5H,1,6H2,2-4H3,(H2,12,13,18)
InChIKey
RVPGXKSBFUAEHW-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(2-methylprop-2-enyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0994 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10668 162.2
[M+Na]+ 291.08862 171.9
[M+NH4]+ 286.13322 167.0
[M+K]+ 307.06256 165.7
[M-H]- 267.09212 162.1
[M+Na-2H]- 289.07407 164.9
[M]+ 268.09885 163.5
[M]- 268.09995 163.5
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.