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

5
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 149.0
[M+Na]+ 318.95112 151.7
[M+NH4]+ 313.99572 153.9
[M+K]+ 334.92506 151.8
[M-H]- 294.95462 150.9
[M+Na-2H]- 316.93657 153.1
[M]+ 295.96135 149.0
[M]- 295.96245 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe