CID 208128

31683-76-8

Structural Information

Molecular Formula
C8H12N4O3
SMILES
CNC(=O)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C8H12N4O3/c1-9-7(14)10-5-4-6(13)12(3)8(15)11(5)2/h4H,1-3H3,(H2,9,10,14)
InChIKey
ITWJJOZQEXODLG-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.09094 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 144.4
[M+Na]+ 235.08016 155.3
[M+NH4]+ 230.12476 149.3
[M+K]+ 251.05410 151.7
[M-H]- 211.08366 144.2
[M+Na-2H]- 233.06561 148.6
[M]+ 212.09039 145.4
[M]- 212.09149 145.4
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.