CID 84727963

6-bromo-1-(propan-2-yl)-1h-pyrazolo[4,3-b]pyridine

Structural Information

Molecular Formula
C9H10BrN3
SMILES
CC(C)N1C2=C(C=N1)N=CC(=C2)Br
InChI
InChI=1S/C9H10BrN3/c1-6(2)13-9-3-7(10)4-11-8(9)5-12-13/h3-6H,1-2H3
InChIKey
AJJSFVYHVCYYBW-UHFFFAOYSA-N
Compound name
6-bromo-1-propan-2-ylpyrazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.00581 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.013086 142.4
[M+Na]+ 261.995028 157.0
[M-H]- 237.998534 146.8
[M+NH4]+ 257.039633 163.3
[M+K]+ 277.968968 146.0
[M+H-H2O]+ 222.003070 141.7
[M+HCOO]- 284.004011 162.1
[M+CH3COO]- 298.019661 157.9
[M+Na-2H]- 259.980476 150.6
[M]+ 239.00526142 163.7
[M]- 239.00635858 163.7
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