CID 28979520

1035818-96-2

Structural Information

Molecular Formula
C12H9BrN4
SMILES
C1=CC2=C(C=C1N)NC(=N2)C3=CC(=CN=C3)Br
InChI
InChI=1S/C12H9BrN4/c13-8-3-7(5-15-6-8)12-16-10-2-1-9(14)4-11(10)17-12/h1-6H,14H2,(H,16,17)
InChIKey
JTOYHRZXGMEUQV-UHFFFAOYSA-N
Compound name
2-(5-bromo-3-pyridinyl)-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.00107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.008346 154.4
[M+Na]+ 310.990288 168.3
[M-H]- 286.993794 160.2
[M+NH4]+ 306.034893 171.8
[M+K]+ 326.964228 154.5
[M+H-H2O]+ 270.998330 152.6
[M+HCOO]- 332.999271 174.2
[M+CH3COO]- 347.014921 168.4
[M+Na-2H]- 308.975736 162.6
[M]+ 288.00052142 171.9
[M]- 288.00161858 171.9
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