CID 302689

Nsc190382

Structural Information

Molecular Formula
C16H12N2S4
SMILES
C1=CC=C2C(=C1)N=C(S2)SCCSC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C16H12N2S4/c1-3-7-13-11(5-1)17-15(21-13)19-9-10-20-16-18-12-6-2-4-8-14(12)22-16/h1-8H,9-10H2
InChIKey
SLNISRYXTNUMTF-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethylsulfanyl]-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

359.98834 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.99562 165.2
[M+Na]+ 382.97756 179.7
[M+NH4]+ 378.02216 176.1
[M+K]+ 398.95150 167.0
[M-H]- 358.98106 171.0
[M+Na-2H]- 380.96301 171.8
[M]+ 359.98779 171.0
[M]- 359.98889 171.0
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

patents stripe