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 159.6
[M+Na]+ 291.08862 168.6
[M-H]- 267.09212 161.5
[M+NH4]+ 286.13322 174.0
[M+K]+ 307.06256 164.0
[M+H-H2O]+ 251.09666 152.1
[M+HCOO]- 313.09760 176.5
[M+CH3COO]- 327.11325 202.5
[M+Na-2H]- 289.07407 159.4
[M]+ 268.09885 161.9
[M]- 268.09995 161.9
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.