CID 122706177

3,6,8-trimethyl-2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline

Structural Information

Molecular Formula
C8H12N4O5
SMILES
CNC(=O)N(C)C1=NC(=O)N(C1(C(=O)O)O)C
InChI
InChI=1S/C8H12N4O5/c1-9-6(15)11(2)4-8(17,5(13)14)12(3)7(16)10-4/h17H,1-3H3,(H,9,15)(H,13,14)
InChIKey
OIAYIBAMKXMHFW-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methyl-5-[methyl(methylcarbamoyl)amino]-2-oxoimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

244.08076 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.088036 147.9
[M+Na]+ 267.069978 155.8
[M-H]- 243.073484 148.8
[M+NH4]+ 262.114583 165.4
[M+K]+ 283.043918 156.4
[M+H-H2O]+ 227.078020 142.4
[M+HCOO]- 289.078961 168.8
[M+CH3COO]- 303.094611 193.8
[M+Na-2H]- 265.055426 150.2
[M]+ 244.08021142 148.9
[M]- 244.08130858 148.9
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.