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 148.9
[M+Na]+ 365.93412 162.4
[M-H]- 341.93762 156.5
[M+NH4]+ 360.97872 166.7
[M+K]+ 381.90806 148.7
[M+H-H2O]+ 325.94216 148.6
[M+HCOO]- 387.94310 161.1
[M+CH3COO]- 401.95875 163.2
[M+Na-2H]- 363.91957 152.3
[M]+ 342.94435 170.7
[M]- 342.94545 170.7
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.