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]+ 245.08804 147.9
[M+Na]+ 267.06998 155.8
[M-H]- 243.07348 148.8
[M+NH4]+ 262.11458 165.4
[M+K]+ 283.04392 156.4
[M+H-H2O]+ 227.07802 142.4
[M+HCOO]- 289.07896 168.8
[M+CH3COO]- 303.09461 193.8
[M+Na-2H]- 265.05543 150.2
[M]+ 244.08021 148.9
[M]- 244.08131 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.