CID 59837562

1251033-29-0

Structural Information

Molecular Formula

C₁₇H₂₃N₃O₃S

SMILES

CN(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=CN2)C3CCCCC3

InChI

InChI=1S/C17H23N3O3S/c1-20(2)24(22,23)19-17(21)13-8-9-14-15(11-18-16(14)10-13)12-6-4-3-5-7-12/h8-12,18H,3-7H2,1-2H3,(H,19,21)

InChIKey

VUFCMDJQWJPAAG-UHFFFAOYSA-N

Compound name

3-cyclohexyl-N-(dimethylsulfamoyl)-1H-indole-6-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 349.14603 Da
Monoisotopic Mass: 3.3
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]+	350.15331	177.8
[M+Na]+	372.13525	186.0
[M+NH4]+	367.17985	184.2
[M+K]+	388.10919	181.6
[M-H]-	348.13875	180.2
[M+Na-2H]-	370.12070	182.5
[M]+	349.14548	179.7
[M]-	349.14658	179.7

Literature stripe

literature stripe

Patent stripe

patents stripe