CID 5066134

Gue1654

Structural Information

Molecular Formula
C23H17N3OS3
SMILES
CSC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H17N3OS3/c1-28-23-25-17-13-12-16-19(20(17)30-23)29-22(24-16)26-21(27)18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,18H,1H3,(H,24,26,27)
InChIKey
UFOBDFMYJABXGK-UHFFFAOYSA-N
Compound name
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

447.05338 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.06066 189.6
[M+Na]+ 470.04260 204.5
[M+NH4]+ 465.08720 199.2
[M+K]+ 486.01654 193.9
[M-H]- 446.04610 197.0
[M+Na-2H]- 468.02805 199.1
[M]+ 447.05283 195.4
[M]- 447.05393 195.4
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.