CID 46944253

Fluazaindolizine

Structural Information

Molecular Formula
C16H10Cl2F3N3O4S
SMILES
COC1=CC(=C(C=C1)Cl)S(=O)(=O)NC(=O)C2=CN3C=C(C=C(C3=N2)Cl)C(F)(F)F
InChI
InChI=1S/C16H10Cl2F3N3O4S/c1-28-9-2-3-10(17)13(5-9)29(26,27)23-15(25)12-7-24-6-8(16(19,20)21)4-11(18)14(24)22-12/h2-7H,1H3,(H,23,25)
InChIKey
PHCCDUCBMCYSNQ-UHFFFAOYSA-N
Compound name
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

4305
Patents

466.9721 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.97938 193.9
[M+Na]+ 489.96132 203.5
[M+NH4]+ 485.00592 197.0
[M+K]+ 505.93526 199.2
[M-H]- 465.96482 190.5
[M+Na-2H]- 487.94677 197.2
[M]+ 466.97155 194.9
[M]- 466.97265 194.9
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

patents stripe