CID 1240423

1,3-bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-one

Structural Information

Molecular Formula
C17H12N2OS4
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)CSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C17H12N2OS4/c20-11(9-21-16-18-12-5-1-3-7-14(12)23-16)10-22-17-19-13-6-2-4-8-15(13)24-17/h1-8H,9-10H2
InChIKey
BWTBZOLHOSVREZ-UHFFFAOYSA-N
Compound name
1,3-bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

387.98325 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.99053 172.9
[M+Na]+ 410.97247 186.3
[M+NH4]+ 406.01707 182.7
[M+K]+ 426.94641 174.5
[M-H]- 386.97597 177.8
[M+Na-2H]- 408.95792 178.7
[M]+ 387.98270 178.1
[M]- 387.98380 178.1
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.