CID 3035714

Abt-751

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₄S

SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O

InChI

InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)

InChIKey

URCVCIZFVQDVPM-UHFFFAOYSA-N

Compound name

N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 58
References: 3560
Patents: 371.09396 Da
Monoisotopic Mass: 2.8
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]+	372.10124	183.1
[M+Na]+	394.08318	190.1
[M-H]-	370.08668	190.5
[M+NH4]+	389.12778	192.5
[M+K]+	410.05712	184.3
[M+H-H2O]+	354.09122	173.4
[M+HCOO]-	416.09216	201.0
[M+CH3COO]-	430.10781	215.1
[M+Na-2H]-	392.06863	189.1
[M]+	371.09341	185.1
[M]-	371.09451	185.1

Literature stripe

literature stripe

Patent stripe

patents stripe