CID 1421218

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

Structural Information

Molecular Formula
C19H18ClN3O2S3
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H18ClN3O2S3/c1-12-3-8-16(25-2)15(9-12)21-17(24)11-27-19-23-22-18(28-19)26-10-13-4-6-14(20)7-5-13/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKey
YGNHGDVHGWETAH-UHFFFAOYSA-N
Compound name
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.02496 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.03224 196.7
[M+Na]+ 474.01418 209.5
[M+NH4]+ 469.05878 204.4
[M+K]+ 489.98812 197.7
[M-H]- 450.01768 202.2
[M+Na-2H]- 471.99963 203.4
[M]+ 451.02441 201.8
[M]- 451.02551 201.8
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.

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No patent data available for this compound.