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 164.5
[M+Na]+ 313.07296 174.2
[M-H]- 289.07646 169.7
[M+NH4]+ 308.11756 177.8
[M+K]+ 329.04690 168.5
[M+H-H2O]+ 273.08100 155.8
[M+HCOO]- 335.08194 183.3
[M+CH3COO]- 349.09759 204.2
[M+Na-2H]- 311.05841 167.3
[M]+ 290.08319 166.4
[M]- 290.08429 166.4
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.