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

29
Patents

302.0055 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.012776 159.9
[M+Na]+ 324.994718 173.7
[M-H]- 300.998224 167.2
[M+NH4]+ 320.039323 178.6
[M+K]+ 340.968658 161.0
[M+H-H2O]+ 285.002760 158.8
[M+HCOO]- 347.003701 180.0
[M+CH3COO]- 361.019351 174.4
[M+Na-2H]- 322.980166 167.3
[M]+ 302.00495142 180.3
[M]- 302.00604858 180.3
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