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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 143.0
[M+Na]+ 247.05117 152.5
[M-H]- 223.05467 146.9
[M+NH4]+ 242.09577 161.4
[M+K]+ 263.02511 153.4
[M+H-H2O]+ 207.05921 136.6
[M+HCOO]- 269.06015 158.1
[M+CH3COO]- 283.07580 155.6
[M+Na-2H]- 245.03662 148.3
[M]+ 224.06140 143.4
[M]- 224.06250 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.