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 199.0
[M+Na]+ 470.04260 211.4
[M-H]- 446.04610 208.6
[M+NH4]+ 465.08720 212.4
[M+K]+ 486.01654 202.8
[M+H-H2O]+ 430.05064 194.2
[M+HCOO]- 492.05158 207.9
[M+CH3COO]- 506.06723 208.9
[M+Na-2H]- 468.02805 200.8
[M]+ 447.05283 206.0
[M]- 447.05393 206.0
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

No patent data available for this compound.