CID 92130857

6-bromo-1h-pyrrolo[3,2-b]pyridin-5-amine

Structural Information

Molecular Formula
C7H6BrN3
SMILES
C1=CNC2=CC(=C(N=C21)N)Br
InChI
InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11)
InChIKey
KWMNCAVOUYPKNE-UHFFFAOYSA-N
Compound name
6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

210.9745 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.98178 134.2
[M+Na]+ 233.96372 148.4
[M-H]- 209.96722 138.3
[M+NH4]+ 229.00832 156.1
[M+K]+ 249.93766 136.0
[M+H-H2O]+ 193.97176 133.8
[M+HCOO]- 255.97270 155.6
[M+CH3COO]- 269.98835 149.8
[M+Na-2H]- 231.94917 143.5
[M]+ 210.97395 151.4
[M]- 210.97505 151.5
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

patents stripe