CID 2056792

N-(4-bromophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

Structural Information

Molecular Formula
C11H10BrN3OS2
SMILES
CC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H10BrN3OS2/c1-7-14-15-11(18-7)17-6-10(16)13-9-4-2-8(12)3-5-9/h2-5H,6H2,1H3,(H,13,16)
InChIKey
LESKADVWJDJNFP-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.9449 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.95218 147.7
[M+Na]+ 365.93412 150.2
[M+NH4]+ 360.97872 152.4
[M+K]+ 381.90806 149.2
[M-H]- 341.93762 149.4
[M+Na-2H]- 363.91957 151.8
[M]+ 342.94435 148.1
[M]- 342.94545 148.1
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.