CID 139014601

N,n,6-trimethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-3-sulfonamide

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃S₂

SMILES

CC1=CC2=C(C=C1)N(C(=O)S2)S(=O)(=O)N(C)C

InChI

InChI=1S/C10H12N2O3S2/c1-7-4-5-8-9(6-7)16-10(13)12(8)17(14,15)11(2)3/h4-6H,1-3H3

InChIKey

FLKAUPMNALNEAE-UHFFFAOYSA-N

Compound name

N,N,6-trimethyl-2-oxo-1,3-benzothiazole-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.02893 Da
Monoisotopic Mass: 1.7
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]+	273.036206	157.0
[M+Na]+	295.018148	169.2
[M-H]-	271.021654	162.9
[M+NH4]+	290.062753	176.6
[M+K]+	310.992088	165.5
[M+H-H2O]+	255.026190	151.7
[M+HCOO]-	317.027131	172.1
[M+CH3COO]-	331.042781	198.3
[M+Na-2H]-	293.003596	160.3
[M]+	272.02838142	165.4
[M]-	272.02947858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.