CID 658058

160518-43-4

Structural Information

Molecular Formula
C11H9BrN2OS
SMILES
C1CN2C(=CSC2=N1)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C11H9BrN2OS/c12-7-1-2-10(15)8(5-7)9-6-16-11-13-3-4-14(9)11/h1-2,5-6,15H,3-4H2
InChIKey
LNCALHDSJMAMRU-UHFFFAOYSA-N
Compound name
4-bromo-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

295.9619 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.96918 151.9
[M+Na]+ 318.95112 166.8
[M-H]- 294.95462 160.0
[M+NH4]+ 313.99572 173.9
[M+K]+ 334.92506 155.1
[M+H-H2O]+ 278.95916 153.2
[M+HCOO]- 340.96010 167.3
[M+CH3COO]- 354.97575 167.2
[M+Na-2H]- 316.93657 154.6
[M]+ 295.96135 172.5
[M]- 295.96245 172.5
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.