CID 1626204

2-[(3-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-1,2,4-thiadiazol-5-yl)sulfanyl]-n-(3,4-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C18H12Cl4N4O2S3
SMILES
C1=CC(=C(C=C1NC(=O)CSC2=NSC(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H12Cl4N4O2S3/c19-11-3-1-9(5-13(11)21)23-15(27)7-29-17-25-18(31-26-17)30-8-16(28)24-10-2-4-12(20)14(22)6-10/h1-6H,7-8H2,(H,23,27)(H,24,28)
InChIKey
RAWFZDPSCABKAL-UHFFFAOYSA-N
Compound name
2-[[5-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.88763 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.89491 205.5
[M+Na]+ 574.87685 213.0
[M-H]- 550.88035 210.1
[M+NH4]+ 569.92145 212.0
[M+K]+ 590.85079 204.8
[M+H-H2O]+ 534.88489 201.5
[M+HCOO]- 596.88583 194.2
[M+CH3COO]- 610.90148 210.8
[M+Na-2H]- 572.86230 201.8
[M]+ 551.88708 210.4
[M]- 551.88818 210.4
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.