CID 560765

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide

Structural Information

Molecular Formula
C11H9BrN2OS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)CC(=O)N)Br
InChI
InChI=1S/C11H9BrN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKey
RLOFEQQGBMPQSA-UHFFFAOYSA-N
Compound name
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

295.9619 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.96918 150.3
[M+Na]+ 318.95112 163.0
[M-H]- 294.95462 158.8
[M+NH4]+ 313.99572 170.2
[M+K]+ 334.92506 150.3
[M+H-H2O]+ 278.95916 149.7
[M+HCOO]- 340.96010 167.9
[M+CH3COO]- 354.97575 197.2
[M+Na-2H]- 316.93657 153.3
[M]+ 295.96135 170.0
[M]- 295.96245 170.0
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.