CID 125378864

5-[4-(acetylamino)benzenesulfonyloxy]sulfapyridine acetate

Structural Information

Molecular Formula
C21H20N4O7S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C21H20N4O7S2/c1-14(26)23-16-3-8-19(9-4-16)33(28,29)25-21-12-7-18(13-22-21)32-34(30,31)20-10-5-17(6-11-20)24-15(2)27/h3-13H,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKey
JPIUMBXLXMOUNV-UHFFFAOYSA-N
Compound name
[6-[(4-acetamidophenyl)sulfonylamino]pyridin-3-yl] 4-acetamidobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.07733 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.08461 207.4
[M+Na]+ 527.06655 215.3
[M+NH4]+ 522.11115 209.6
[M+K]+ 543.04049 209.7
[M-H]- 503.07005 209.6
[M+Na-2H]- 525.05200 214.8
[M]+ 504.07678 209.6
[M]- 504.07788 209.6
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.