CID 1543101

477313-77-2

Structural Information

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

Patent stripe

No patent data available for this compound.