CID 206255

Brn 0994106

Structural Information

Molecular Formula
C12H16N2O2S
SMILES
CC(C)C1=NCC2=CC=CC=C2S(=O)(=O)N1C
InChI
InChI=1S/C12H16N2O2S/c1-9(2)12-13-8-10-6-4-5-7-11(10)17(15,16)14(12)3/h4-7,9H,8H2,1-3H3
InChIKey
GYXWNPAZBXUZOH-UHFFFAOYSA-N
Compound name
2-methyl-3-propan-2-yl-5H-1lambda6,2,4-benzothiadiazepine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09325 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 150.5
[M+Na]+ 275.08247 158.8
[M-H]- 251.08597 154.1
[M+NH4]+ 270.12707 167.7
[M+K]+ 291.05641 159.9
[M+H-H2O]+ 235.09051 143.9
[M+HCOO]- 297.09145 164.0
[M+CH3COO]- 311.10710 194.6
[M+Na-2H]- 273.06792 154.0
[M]+ 252.09270 151.0
[M]- 252.09380 151.0
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.