CID 16770262

926273-24-7

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃S

SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CO

InChI

InChI=1S/C10H13N3O3S/c1-13(2)17(15,16)7-3-4-8-9(5-7)12-10(6-14)11-8/h3-5,14H,6H2,1-2H3,(H,11,12)

InChIKey

WYMPQKYRTZUHPS-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-N,N-dimethyl-3H-benzimidazole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.06776 Da
Monoisotopic Mass: -0.2
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]+	256.075036	154.1
[M+Na]+	278.056978	164.5
[M-H]-	254.060484	156.0
[M+NH4]+	273.101583	171.3
[M+K]+	294.030918	161.0
[M+H-H2O]+	238.065020	148.1
[M+HCOO]-	300.065961	170.6
[M+CH3COO]-	314.081611	191.2
[M+Na-2H]-	276.042426	159.0
[M]+	255.06721142	158.8
[M]-	255.06830858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.