CID 5121

6-(4-bromophenyl)-2h,3h,5h,6h-imidazo[2,1-b][1,3]thiazole

Structural Information

Molecular Formula
C11H11BrN2S
SMILES
C1CSC2=NC(CN21)C3=CC=C(C=C3)Br
InChI
InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2
InChIKey
HTHGAIADRJRJOY-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

370
Patents

281.98264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98992 150.5
[M+Na]+ 304.97186 164.3
[M-H]- 280.97536 159.2
[M+NH4]+ 300.01646 173.4
[M+K]+ 320.94580 153.3
[M+H-H2O]+ 264.97990 151.4
[M+HCOO]- 326.98084 165.8
[M+CH3COO]- 340.99649 165.8
[M+Na-2H]- 302.95731 153.0
[M]+ 281.98209 169.8
[M]- 281.98319 169.8
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