CID 206252

Brn 0986239

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂S

SMILES

CC1=NCC2=CC=CC=C2S(=O)(=O)N1C

InChI

InChI=1S/C10H12N2O2S/c1-8-11-7-9-5-3-4-6-10(9)15(13,14)12(8)2/h3-6H,7H2,1-2H3

InChIKey

ZUXPQFYQCGDBHM-UHFFFAOYSA-N

Compound name

2,3-dimethyl-5H-1lambda6,2,4-benzothiadiazepine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.06195 Da
Monoisotopic Mass: 0.5
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]+	225.069226	143.0
[M+Na]+	247.051168	152.5
[M-H]-	223.054674	146.9
[M+NH4]+	242.095773	161.4
[M+K]+	263.025108	153.4
[M+H-H2O]+	207.059210	136.6
[M+HCOO]-	269.060151	158.1
[M+CH3COO]-	283.075801	155.6
[M+Na-2H]-	245.036616	148.3
[M]+	224.06140142	143.4
[M]-	224.06249858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.