CID 3038166

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

Structural Information

Molecular Formula
C13H14N4O2S
SMILES
CN1C(=CC(=O)N(C1=O)C)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C13H14N4O2S/c1-16-10(8-11(18)17(2)13(16)19)15-12(20)14-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15,20)
InChIKey
OMULIKWVUGOJBQ-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.08374 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09102 164.7
[M+Na]+ 313.07296 177.5
[M+NH4]+ 308.11756 171.0
[M+K]+ 329.04690 169.6
[M-H]- 289.07646 168.0
[M+Na-2H]- 311.05841 171.8
[M]+ 290.08319 167.7
[M]- 290.08429 167.7
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.