CID 319370

2651-15-2

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S₃

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(SC)SC

InChI

InChI=1S/C10H13NO2S3/c1-8-4-6-9(7-5-8)16(12,13)11-10(14-2)15-3/h4-7H,1-3H3

InChIKey

OWIPGZGAUSIOAX-UHFFFAOYSA-N

Compound name

N-[bis(methylsulfanyl)methylidene]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 45
Patents: 275.01083 Da
Monoisotopic Mass: 3.4
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]+	276.01811	159.8
[M+Na]+	298.00005	169.0
[M+NH4]+	293.04465	167.7
[M+K]+	313.97399	158.5
[M-H]-	274.00355	161.6
[M+Na-2H]-	295.98550	163.5
[M]+	275.01028	163.0
[M]-	275.01138	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe