CID 44438035

Chembl248075

Structural Information

Molecular Formula
C17H17BrN2S
SMILES
CC1=CC(=CN2C1=NC=C2CSCCC3=CC=CC=C3)Br
InChI
InChI=1S/C17H17BrN2S/c1-13-9-15(18)11-20-16(10-19-17(13)20)12-21-8-7-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12H2,1H3
InChIKey
PIJKGHCRBTYUDQ-UHFFFAOYSA-N
Compound name
6-bromo-8-methyl-3-(2-phenylethylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.02957 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.03685 168.2
[M+Na]+ 383.01879 182.7
[M-H]- 359.02229 176.8
[M+NH4]+ 378.06339 186.6
[M+K]+ 398.99273 168.9
[M+H-H2O]+ 343.02683 167.6
[M+HCOO]- 405.02777 184.5
[M+CH3COO]- 419.04342 182.5
[M+Na-2H]- 381.00424 172.7
[M]+ 360.02902 192.5
[M]- 360.03012 192.5
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

No patent data available for this compound.