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-bromopyridin-3-yl)-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]+ 289.00835 154.4
[M+Na]+ 310.99029 168.3
[M-H]- 286.99379 160.2
[M+NH4]+ 306.03489 171.8
[M+K]+ 326.96423 154.5
[M+H-H2O]+ 270.99833 152.6
[M+HCOO]- 332.99927 174.2
[M+CH3COO]- 347.01492 168.4
[M+Na-2H]- 308.97574 162.6
[M]+ 288.00052 171.9
[M]- 288.00162 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