CID 469723

206256-16-8

Structural Information

Molecular Formula
C15H10N2OS
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=O)NC4=CC=CC=C4S3
InChI
InChI=1S/C15H10N2OS/c18-15-13-14(9-5-1-2-6-10(9)16-13)19-12-8-4-3-7-11(12)17-15/h1-8,16H,(H,17,18)
InChIKey
WJPXHDCEVKMDOB-UHFFFAOYSA-N
Compound name
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

266.0514 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05868 158.7
[M+Na]+ 289.04062 169.3
[M-H]- 265.04412 162.4
[M+NH4]+ 284.08522 176.3
[M+K]+ 305.01456 165.5
[M+H-H2O]+ 249.04866 153.8
[M+HCOO]- 311.04960 171.5
[M+CH3COO]- 325.06525 170.0
[M+Na-2H]- 287.02607 163.9
[M]+ 266.05085 157.1
[M]- 266.05195 157.1
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.