CID 11097764

1,2,5-benzothiadiazepin-4(5h)-one, 8-chloro-2-ethyl-2,3-dihydro-, 1,1-dioxide

Structural Information

Molecular Formula
C10H11ClN2O3S
SMILES
CCN1CC(=O)NC2=C(S1(=O)=O)C=C(C=C2)Cl
InChI
InChI=1S/C10H11ClN2O3S/c1-2-13-6-10(14)12-8-4-3-7(11)5-9(8)17(13,15)16/h3-5H,2,6H2,1H3,(H,12,14)
InChIKey
PQOOENFLOXKOGJ-UHFFFAOYSA-N
Compound name
8-chloro-2-ethyl-1,1-dioxo-3,5-dihydro-1lambda6,2,5-benzothiadiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.01788 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02516 151.1
[M+Na]+ 297.00710 161.1
[M-H]- 273.01060 153.2
[M+NH4]+ 292.05170 167.7
[M+K]+ 312.98104 160.3
[M+H-H2O]+ 257.01514 145.1
[M+HCOO]- 319.01608 159.5
[M+CH3COO]- 333.03173 192.1
[M+Na-2H]- 294.99255 154.5
[M]+ 274.01733 151.0
[M]- 274.01843 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

literature stripe

Patent stripe

No patent data available for this compound.