CID 5381368

Phcon2 gluco de

Structural Information

Molecular Formula
C13H18N2O6
SMILES
C1=CC=C(C=C1)C(=O)N/N=C/C(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C13H18N2O6/c16-7-10(18)12(20)11(19)9(17)6-14-15-13(21)8-4-2-1-3-5-8/h1-6,9-12,16-20H,7H2,(H,15,21)/b14-6+
InChIKey
YLMFJEWCWWMXLD-MKMNVTDBSA-N
Compound name
N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1165 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12378 167.0
[M+Na]+ 321.10572 167.8
[M-H]- 297.10922 164.3
[M+NH4]+ 316.15032 177.6
[M+K]+ 337.07966 166.9
[M+H-H2O]+ 281.11376 159.7
[M+HCOO]- 343.11470 182.8
[M+CH3COO]- 357.13035 198.8
[M+Na-2H]- 319.09117 165.7
[M]+ 298.11595 163.0
[M]- 298.11705 163.0
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.