CID 23725123

857290-04-1

Structural Information

Molecular Formula

C₁₈H₁₄N₄O₂S

SMILES

C1=CC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C18H14N4O2S/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)25(23,24)22-18-3-1-2-17(20)21-18/h1-11H,(H3,20,21,22)

InChIKey

ZESFDAKNYJQYKO-UHFFFAOYSA-N

Compound name

N-(6-amino-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 39
Patents: 350.08374 Da
Monoisotopic Mass: 2.7
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]+	351.091016	194.3
[M+Na]+	373.072958	204.3
[M-H]-	349.076464	200.4
[M+NH4]+	368.117563	203.6
[M+K]+	389.046898	196.6
[M+H-H2O]+	333.081000	178.3
[M+HCOO]-	395.081941	208.5
[M+CH3COO]-	409.097591	202.1
[M+Na-2H]-	371.058406	196.9
[M]+	350.08319142	188.5
[M]-	350.08428858	188.5

Literature stripe

literature stripe

Patent stripe

patents stripe