CID 9574847

Chembl3091840

Structural Information

Molecular Formula
C11H16N2O7
SMILES
C1=COC(=C1)C(=O)N/N=C/C(C(C(C(CO)O)O)O)O
InChI
InChI=1S/C11H16N2O7/c14-5-7(16)10(18)9(17)6(15)4-12-13-11(19)8-2-1-3-20-8/h1-4,6-7,9-10,14-18H,5H2,(H,13,19)/b12-4+
InChIKey
CYRPQHYTFFXMKE-UUILKARUSA-N
Compound name
N-[(E)-2,3,4,5,6-pentahydroxyhexylideneamino]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.09576 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10304 164.5
[M+Na]+ 311.08498 165.6
[M-H]- 287.08848 162.7
[M+NH4]+ 306.12958 175.8
[M+K]+ 327.05892 166.6
[M+H-H2O]+ 271.09302 157.4
[M+HCOO]- 333.09396 180.8
[M+CH3COO]- 347.10961 195.3
[M+Na-2H]- 309.07043 163.2
[M]+ 288.09521 162.3
[M]- 288.09631 162.3
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.