CID 1886399

476484-61-4

Structural Information

Molecular Formula
C18H15BrClN3OS3
SMILES
CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H15BrClN3OS3/c1-11-8-13(19)4-7-15(11)21-16(24)10-26-18-23-22-17(27-18)25-9-12-2-5-14(20)6-3-12/h2-8H,9-10H2,1H3,(H,21,24)
InChIKey
TVLCIUWFWDXWPA-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.92493 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.93221 170.8
[M+Na]+ 521.91415 175.4
[M+NH4]+ 516.95875 175.9
[M+K]+ 537.88809 171.1
[M-H]- 497.91765 174.8
[M+Na-2H]- 519.89960 176.4
[M]+ 498.92438 173.0
[M]- 498.92548 173.0
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.