CID 1629643

2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-n-(4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula
C23H18ClN3O2S3
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H18ClN3O2S3/c24-17-8-6-16(7-9-17)14-30-22-26-27-23(32-22)31-15-21(28)25-18-10-12-20(13-11-18)29-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,25,28)
InChIKey
WOLVYSHXLIKWPX-UHFFFAOYSA-N
Compound name
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.02496 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.03224 203.0
[M+Na]+ 522.01418 217.7
[M+NH4]+ 517.05878 211.3
[M+K]+ 537.98812 204.7
[M-H]- 498.01768 211.0
[M+Na-2H]- 519.99963 213.4
[M]+ 499.02441 209.1
[M]- 499.02551 209.1
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.