CID 1971494

2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-n-(2-bromophenyl)acetamide

Structural Information

Molecular Formula
C17H14BrN3OS3
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3Br
InChI
InChI=1S/C17H14BrN3OS3/c18-13-8-4-5-9-14(13)19-15(22)11-24-17-21-20-16(25-17)23-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKey
QVTFIXCRRZTQNS-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-bromophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.94824 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.95552 156.6
[M+Na]+ 473.93746 160.3
[M+NH4]+ 468.98206 161.8
[M+K]+ 489.91140 156.9
[M-H]- 449.94096 160.6
[M+Na-2H]- 471.92291 163.1
[M]+ 450.94769 158.4
[M]- 450.94879 158.4
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.