CID 384660

Nsc674705

Structural Information

Molecular Formula
C15H10N2O2S3
SMILES
C1=CC=C2C(=C1)N=C(S2)CS(=O)(=O)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H10N2O2S3/c18-22(19,15-17-11-6-2-4-8-13(11)21-15)9-14-16-10-5-1-3-7-12(10)20-14/h1-8H,9H2
InChIKey
IEDDNQACSVMKHL-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfonylmethyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.99045 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.99773 178.7
[M+Na]+ 368.97967 194.2
[M-H]- 344.98317 186.1
[M+NH4]+ 364.02427 196.7
[M+K]+ 384.95361 187.0
[M+H-H2O]+ 328.98771 175.1
[M+HCOO]- 390.98865 188.7
[M+CH3COO]- 405.00430 191.0
[M+Na-2H]- 366.96512 182.6
[M]+ 345.98990 186.9
[M]- 345.99100 186.9
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.