CID 49761636

5-bromo-2-ethyl-1-(phenylsulfonyl)-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C15H13BrN2O2S
SMILES
CCC1=CC2=CC(=CN=C2N1S(=O)(=O)C3=CC=CC=C3)Br
InChI
InChI=1S/C15H13BrN2O2S/c1-2-13-9-11-8-12(16)10-17-15(11)18(13)21(19,20)14-6-4-3-5-7-14/h3-10H,2H2,1H3
InChIKey
LXKRNOSXVMMUAL-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5-bromo-2-ethylpyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

363.9881 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99538 164.9
[M+Na]+ 386.97732 170.4
[M+NH4]+ 382.02192 169.4
[M+K]+ 402.95126 169.6
[M-H]- 362.98082 166.2
[M+Na-2H]- 384.96277 169.8
[M]+ 363.98755 165.4
[M]- 363.98865 165.4
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