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 206.9
[M+Na]+ 522.01418 215.8
[M-H]- 498.01768 216.2
[M+NH4]+ 517.05878 214.5
[M+K]+ 537.98812 205.4
[M+H-H2O]+ 482.02222 199.4
[M+HCOO]- 544.02316 210.4
[M+CH3COO]- 558.03881 214.5
[M+Na-2H]- 519.99963 206.6
[M]+ 499.02441 212.4
[M]- 499.02551 212.4
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.