CID 346934

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

Structural Information

Molecular Formula
C11H9BrN2S
SMILES
C1CN2C(=CSC2=N1)C3=CC=C(C=C3)Br
InChI
InChI=1S/C11H9BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-4,7H,5-6H2
InChIKey
PVPFCMJKVBCGES-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

6
Patents

279.96698 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97426 148.6
[M+Na]+ 302.95620 163.5
[M-H]- 278.95970 157.8
[M+NH4]+ 298.00080 171.8
[M+K]+ 318.93014 152.3
[M+H-H2O]+ 262.96424 149.7
[M+HCOO]- 324.96518 165.4
[M+CH3COO]- 338.98083 164.5
[M+Na-2H]- 300.94165 152.2
[M]+ 279.96643 169.3
[M]- 279.96753 169.3
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