CID 169337

2-(nicotinoylaminoethanesulfonylamino)pyridine

Structural Information

Molecular Formula
C13H14N4O3S
SMILES
C1=CC=NC(=C1)NS(=O)(=O)CCNC(=O)C2=CN=CC=C2
InChI
InChI=1S/C13H14N4O3S/c18-13(11-4-3-6-14-10-11)16-8-9-21(19,20)17-12-5-1-2-7-15-12/h1-7,10H,8-9H2,(H,15,17)(H,16,18)
InChIKey
ZUHSIVUQTUMBGH-UHFFFAOYSA-N
Compound name
N-[2-(pyridin-2-ylsulfamoyl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

306.07867 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08595 165.6
[M+Na]+ 329.06789 176.0
[M+NH4]+ 324.11249 171.0
[M+K]+ 345.04183 169.3
[M-H]- 305.07139 167.5
[M+Na-2H]- 327.05334 173.4
[M]+ 306.07812 167.7
[M]- 306.07922 167.7
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

patents stripe