CID 4648160

477313-76-1

Structural Information

Molecular Formula
C24H21N3O2S3
SMILES
COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O2S3/c1-29-19-13-11-17(12-14-19)15-30-23-26-27-24(32-23)31-16-22(28)25-21-10-6-5-9-20(21)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,25,28)
InChIKey
FMVONNNLKJEFLU-UHFFFAOYSA-N
Compound name
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.0796 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.08688 206.1
[M+Na]+ 502.06882 214.2
[M-H]- 478.07232 215.0
[M+NH4]+ 497.11342 213.5
[M+K]+ 518.04276 204.1
[M+H-H2O]+ 462.07686 197.6
[M+HCOO]- 524.07780 213.6
[M+CH3COO]- 538.09345 213.5
[M+Na-2H]- 500.05427 205.5
[M]+ 479.07905 209.8
[M]- 479.08015 209.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.