CID 295936

Glucose ureide

Structural Information

Molecular Formula
C7H14N2O6
SMILES
C(C1C(C(C(C(O1)NC(=O)N)O)O)O)O
InChI
InChI=1S/C7H14N2O6/c8-7(14)9-6-5(13)4(12)3(11)2(1-10)15-6/h2-6,10-13H,1H2,(H3,8,9,14)
InChIKey
FKWQEFWENKGUGF-UHFFFAOYSA-N
Compound name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

48
Patents

222.08519 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.092466 146.8
[M+Na]+ 245.074408 151.8
[M-H]- 221.077914 145.3
[M+NH4]+ 240.119013 160.3
[M+K]+ 261.048348 151.2
[M+H-H2O]+ 205.082450 141.0
[M+HCOO]- 267.083391 162.2
[M+CH3COO]- 281.099041 184.8
[M+Na-2H]- 243.059856 147.7
[M]+ 222.08464142 141.2
[M]- 222.08573858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.