CID 469726

206256-30-6

Structural Information

Molecular Formula
C15H8Cl2N2OS
SMILES
C1=CC2=C(C=C1Cl)C3=C(N2)C(=O)NC4=C(S3)C=C(C=C4)Cl
InChI
InChI=1S/C15H8Cl2N2OS/c16-7-1-3-10-9(5-7)14-13(18-10)15(20)19-11-4-2-8(17)6-12(11)21-14/h1-6,18H,(H,19,20)
InChIKey
VAWRDMISXAQNAH-UHFFFAOYSA-N
Compound name
2,10-dichloro-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

333.97345 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.98073 169.5
[M+Na]+ 356.96267 183.7
[M-H]- 332.96617 172.6
[M+NH4]+ 352.00727 186.5
[M+K]+ 372.93661 178.7
[M+H-H2O]+ 316.97071 164.7
[M+HCOO]- 378.97165 173.4
[M+CH3COO]- 392.98730 180.5
[M+Na-2H]- 354.94812 172.6
[M]+ 333.97290 171.4
[M]- 333.97400 171.4
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.