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 143.4
[M+Na]+ 235.08016 153.8
[M-H]- 211.08366 145.8
[M+NH4]+ 230.12476 159.7
[M+K]+ 251.05410 151.9
[M+H-H2O]+ 195.08820 136.0
[M+HCOO]- 257.08914 167.9
[M+CH3COO]- 271.10479 191.9
[M+Na-2H]- 233.06561 148.7
[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.