CID 469722

206256-22-6

Structural Information

Molecular Formula
C15H8Cl2N2O3S
SMILES
C1=CC2=C(C=C1Cl)C3=C(N2)C(=O)NC4=C(S3(=O)=O)C=C(C=C4)Cl
InChI
InChI=1S/C15H8Cl2N2O3S/c16-7-1-3-10-9(5-7)14-13(18-10)15(20)19-11-4-2-8(17)6-12(11)23(14,21)22/h1-6,18H,(H,19,20)
InChIKey
PKOCMUOLZKTGPE-UHFFFAOYSA-N
Compound name
2,10-dichloro-12,12-dioxo-5,7-dihydroindolo[3,2-b][1,5]benzothiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.96326 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.97054 175.5
[M+Na]+ 388.95248 191.2
[M-H]- 364.95598 179.3
[M+NH4]+ 383.99708 193.1
[M+K]+ 404.92642 186.5
[M+H-H2O]+ 348.96052 170.8
[M+HCOO]- 410.96146 180.0
[M+CH3COO]- 424.97711 186.7
[M+Na-2H]- 386.93793 179.5
[M]+ 365.96271 179.4
[M]- 365.96381 179.4
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.