CID 121249928

1899832-18-8

Structural Information

Molecular Formula
C10H8BrN5
SMILES
CN1C=C(C=N1)C2=NC3=NC=CC(=C3N2)Br
InChI
InChI=1S/C10H8BrN5/c1-16-5-6(4-13-16)9-14-8-7(11)2-3-12-10(8)15-9/h2-5H,1H3,(H,12,14,15)
InChIKey
MEUHZEGDNTUZMA-UHFFFAOYSA-N
Compound name
7-bromo-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

276.9963 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00358 150.2
[M+Na]+ 299.98552 166.1
[M-H]- 275.98902 154.8
[M+NH4]+ 295.03012 168.1
[M+K]+ 315.95946 153.9
[M+H-H2O]+ 259.99356 148.7
[M+HCOO]- 321.99450 168.9
[M+CH3COO]- 336.01015 164.8
[M+Na-2H]- 297.97097 156.9
[M]+ 276.99575 170.4
[M]- 276.99685 170.4
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