CID 59699787

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

Structural Information

Molecular Formula
C14H11BrN2O
SMILES
COC1=CC=CC=C1C2=CNC3=C2C=C(C=N3)Br
InChI
InChI=1S/C14H11BrN2O/c1-18-13-5-3-2-4-10(13)12-8-17-14-11(12)6-9(15)7-16-14/h2-8H,1H3,(H,16,17)
InChIKey
UWBXQMQUOGPEKU-UHFFFAOYSA-N
Compound name
5-bromo-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

302.0055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.01278 162.6
[M+Na]+ 324.99472 168.9
[M+NH4]+ 320.03932 167.7
[M+K]+ 340.96866 168.4
[M-H]- 300.99822 164.7
[M+Na-2H]- 322.98017 167.8
[M]+ 302.00495 163.1
[M]- 302.00605 163.1
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