CID 58638

19077-98-6

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2

InChI

InChI=1S/C13H13N3O3S/c1-10(17)15-11-5-7-12(8-6-11)20(18,19)16-13-4-2-3-9-14-13/h2-9H,1H3,(H,14,16)(H,15,17)

InChIKey

CYLYVXPHAQLXFG-UHFFFAOYSA-N

Compound name

N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 17
References: 15
Patents: 291.06775 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.07503	163.2
[M+Na]+	314.05697	170.1
[M-H]-	290.06047	168.7
[M+NH4]+	309.10157	176.7
[M+K]+	330.03091	165.8
[M+H-H2O]+	274.06501	154.8
[M+HCOO]-	336.06595	182.0
[M+CH3COO]-	350.08160	200.9
[M+Na-2H]-	312.04242	169.1
[M]+	291.06720	164.3
[M]-	291.06830	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe