CID 82061904

(3-(4-bromophenyl)imidazo(2,1-b)(1,3)thiazol-5-yl)methanol

Structural Information

Molecular Formula
C12H9BrN2OS
SMILES
C1=CC(=CC=C1C2=CSC3=NC=C(N23)CO)Br
InChI
InChI=1S/C12H9BrN2OS/c13-9-3-1-8(2-4-9)11-7-17-12-14-5-10(6-16)15(11)12/h1-5,7,16H,6H2
InChIKey
QRTQDJJICWSXBX-UHFFFAOYSA-N
Compound name
[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.9619 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.96918 153.5
[M+Na]+ 330.95112 169.8
[M-H]- 306.95462 162.2
[M+NH4]+ 325.99572 175.2
[M+K]+ 346.92506 157.5
[M+H-H2O]+ 290.95916 154.6
[M+HCOO]- 352.96010 171.2
[M+CH3COO]- 366.97575 169.4
[M+Na-2H]- 328.93657 157.5
[M]+ 307.96135 176.9
[M]- 307.96245 176.9
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.