CID 408721

2,6-diaminopyridine-n-1-glucosesulfonic acid*, sodium salt

Structural Information

Molecular Formula
C11H19N3O8S
SMILES
C1=CC(=NC(=C1)NC(C(C(C(C(CO)O)O)O)O)S(=O)(=O)O)N
InChI
InChI=1S/C11H19N3O8S/c12-6-2-1-3-7(13-6)14-11(23(20,21)22)10(19)9(18)8(17)5(16)4-15/h1-3,5,8-11,15-19H,4H2,(H3,12,13,14)(H,20,21,22)
InChIKey
KBVCATCZUROUQF-UHFFFAOYSA-N
Compound name
1-[(6-aminopyridin-2-yl)amino]-2,3,4,5,6-pentahydroxyhexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0893 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09658 170.8
[M+Na]+ 376.07852 170.9
[M-H]- 352.08202 163.6
[M+NH4]+ 371.12312 176.3
[M+K]+ 392.05246 169.6
[M+H-H2O]+ 336.08656 163.8
[M+HCOO]- 398.08750 175.7
[M+CH3COO]- 412.10315 203.5
[M+Na-2H]- 374.06397 168.8
[M]+ 353.08875 166.9
[M]- 353.08985 166.9
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.