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 151.5
[M+Na]+ 275.08247 162.6
[M+NH4]+ 270.12707 159.8
[M+K]+ 291.05641 154.9
[M-H]- 251.08597 152.4
[M+Na-2H]- 273.06792 157.7
[M]+ 252.09270 154.0
[M]- 252.09380 154.0
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.