CID 9574843

Chembl3091905

Structural Information

Molecular Formula
C11H15N3O5
SMILES
C1=CN=CC=C1C(=O)N/N=C/C(C(C(CO)O)O)O
InChI
InChI=1S/C11H15N3O5/c15-6-9(17)10(18)8(16)5-13-14-11(19)7-1-3-12-4-2-7/h1-5,8-10,15-18H,6H2,(H,14,19)/b13-5+
InChIKey
BWEDTNMBONYSDH-WLRTZDKTSA-N
Compound name
N-[(E)-2,3,4,5-tetrahydroxypentylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.10117 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10845 158.9
[M+Na]+ 292.09039 161.4
[M-H]- 268.09389 156.6
[M+NH4]+ 287.13499 170.3
[M+K]+ 308.06433 160.3
[M+H-H2O]+ 252.09843 151.1
[M+HCOO]- 314.09937 176.5
[M+CH3COO]- 328.11502 194.2
[M+Na-2H]- 290.07584 160.6
[M]+ 269.10062 155.8
[M]- 269.10172 155.8
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.