CID 469719

5h-indolo(3,2-b)(1,5)benzothiazepin-6(7h)-one, 12,12-dioxide

Structural Information

Molecular Formula
C15H10N2O3S
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=O)NC4=CC=CC=C4S3(=O)=O
InChI
InChI=1S/C15H10N2O3S/c18-15-13-14(9-5-1-2-6-10(9)16-13)21(19,20)12-8-4-3-7-11(12)17-15/h1-8,16H,(H,17,18)
InChIKey
NEQFULQJXNIORT-UHFFFAOYSA-N
Compound name
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

298.0412 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04848 167.3
[M+Na]+ 321.03042 179.4
[M-H]- 297.03392 171.4
[M+NH4]+ 316.07502 185.4
[M+K]+ 337.00436 175.7
[M+H-H2O]+ 281.03846 162.0
[M+HCOO]- 343.03940 180.4
[M+CH3COO]- 357.05505 178.6
[M+Na-2H]- 319.01587 173.0
[M]+ 298.04065 167.5
[M]- 298.04175 167.5
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.