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]pyridin-3-yl]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]+ 442.09148 194.0
[M+Na]+ 464.07342 197.5
[M-H]- 440.07692 197.2
[M+NH4]+ 459.11802 196.4
[M+K]+ 480.04736 195.5
[M+H-H2O]+ 424.08146 185.1
[M+HCOO]- 486.08240 202.0
[M+CH3COO]- 500.09805 224.6
[M+Na-2H]- 462.05887 195.3
[M]+ 441.08365 193.1
[M]- 441.08475 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.