CID 4131327

21355-85-1

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂S

SMILES

CCN1C(=NC2=C1C=CC(=C2)S(=O)(=O)C)C

InChI

InChI=1S/C11H14N2O2S/c1-4-13-8(2)12-10-7-9(16(3,14)15)5-6-11(10)13/h5-7H,4H2,1-3H3

InChIKey

KMUAUEUWMWQETL-UHFFFAOYSA-N

Compound name

1-ethyl-2-methyl-5-methylsulfonylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.0776 Da
Monoisotopic Mass: 1.4
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]+	239.08488	153.2
[M+Na]+	261.06682	166.5
[M+NH4]+	256.11142	160.9
[M+K]+	277.04076	160.4
[M-H]-	237.07032	153.6
[M+Na-2H]-	259.05227	158.0
[M]+	238.07705	155.7
[M]-	238.07815	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe