CID 14389497

Sulfapyridine-glucuronide

Structural Information

Molecular Formula
C17H19N3O9S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=C(C=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C17H19N3O9S/c18-8-1-4-10(5-2-8)30(26,27)20-11-6-3-9(7-19-11)28-17-14(23)12(21)13(22)15(29-17)16(24)25/h1-7,12-15,17,21-23H,18H2,(H,19,20)(H,24,25)
InChIKey
PCLYHDIVTLEIPJ-UHFFFAOYSA-N
Compound name
6-[[6-[(4-aminophenyl)sulfonylamino]-3-pyridinyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

441.0842 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.091476 194.0
[M+Na]+ 464.073418 197.5
[M-H]- 440.076924 197.2
[M+NH4]+ 459.118023 196.4
[M+K]+ 480.047358 195.5
[M+H-H2O]+ 424.081460 185.1
[M+HCOO]- 486.082401 202.0
[M+CH3COO]- 500.098051 224.6
[M+Na-2H]- 462.058866 195.3
[M]+ 441.08365142 193.1
[M]- 441.08474858 193.1
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.