CID 501936

6,8-dibromo-5-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C17H13Br2F3N2S
SMILES
CC1=C(C=C(C2=NC=C(N12)CSCC3=CC(=CC=C3)C(F)(F)F)Br)Br
InChI
InChI=1S/C17H13Br2F3N2S/c1-10-14(18)6-15(19)16-23-7-13(24(10)16)9-25-8-11-3-2-4-12(5-11)17(20,21)22/h2-7H,8-9H2,1H3
InChIKey
VJZZSMUKRPDTOZ-UHFFFAOYSA-N
Compound name
6,8-dibromo-5-methyl-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.91183 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.91911 177.2
[M+Na]+ 514.90105 191.6
[M-H]- 490.90455 183.4
[M+NH4]+ 509.94565 192.2
[M+K]+ 530.87499 174.1
[M+H-H2O]+ 474.90909 183.8
[M+HCOO]- 536.91003 185.6
[M+CH3COO]- 550.92568 189.4
[M+Na-2H]- 512.88650 180.0
[M]+ 491.91128 213.5
[M]- 491.91238 213.5
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.