CID 464786

173908-44-6

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂S

SMILES

C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=CC=CC=C3N

InChI

InChI=1S/C14H12N2O2S/c15-12-6-2-4-8-14(12)19(17,18)16-10-9-11-5-1-3-7-13(11)16/h1-10H,15H2

InChIKey

DCPWJRMUSRUXQT-UHFFFAOYSA-N

Compound name

2-indol-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 272.06195 Da
Monoisotopic Mass: 3.1
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]+	273.06923	159.5
[M+Na]+	295.05117	170.8
[M-H]-	271.05467	166.8
[M+NH4]+	290.09577	177.6
[M+K]+	311.02511	165.3
[M+H-H2O]+	255.05921	152.8
[M+HCOO]-	317.06015	179.3
[M+CH3COO]-	331.07580	172.7
[M+Na-2H]-	293.03662	165.1
[M]+	272.06140	162.7
[M]-	272.06250	162.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.