CID 819349

72811-73-5

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂S

SMILES

CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N

InChI

InChI=1S/C12H13N3O2S/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17/h2-8H,1H3,(H,14,15)(H2,13,16,17)

InChIKey

ZXPCUGWAKUIOOF-UHFFFAOYSA-N

Compound name

4-(3-methylanilino)pyridine-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 50
Patents: 263.07285 Da
Monoisotopic Mass: 1.9
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]+	264.08013	156.6
[M+Na]+	286.06207	165.2
[M-H]-	262.06557	162.2
[M+NH4]+	281.10667	171.6
[M+K]+	302.03601	160.2
[M+H-H2O]+	246.07011	148.8
[M+HCOO]-	308.07105	175.8
[M+CH3COO]-	322.08670	197.0
[M+Na-2H]-	284.04752	162.2
[M]+	263.07230	156.9
[M]-	263.07340	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe