CID 467104

Thiazol-5yl-methanone deriv.

Structural Information

Molecular Formula
C15H15BrN2OS
SMILES
CC1=CSC2=NC=C(N12)C(CCC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C15H15BrN2OS/c1-10-9-20-15-17-8-13(18(10)15)14(19)7-4-11-2-5-12(16)6-3-11/h2-3,5-6,8-9,14,19H,4,7H2,1H3
InChIKey
HUHFOYLRQDWMKB-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.00885 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.01613 167.6
[M+Na]+ 372.99807 182.1
[M-H]- 349.00157 175.8
[M+NH4]+ 368.04267 187.5
[M+K]+ 388.97201 169.7
[M+H-H2O]+ 333.00611 168.2
[M+HCOO]- 395.00705 183.3
[M+CH3COO]- 409.02270 182.0
[M+Na-2H]- 370.98352 169.1
[M]+ 350.00830 191.3
[M]- 350.00940 191.3
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

patents stripe