CID 767318

313666-93-2

Structural Information

Molecular Formula
C20H16N6
SMILES
C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N
InChI
InChI=1S/C20H16N6/c21-11-5-7-15-17(9-11)25-19(23-15)13-3-1-2-4-14(13)20-24-16-8-6-12(22)10-18(16)26-20/h1-10H,21-22H2,(H,23,25)(H,24,26)
InChIKey
ZJSIITUXTQETKU-UHFFFAOYSA-N
Compound name
2-[2-(6-amino-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

340.14365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.15093 179.2
[M+Na]+ 363.13287 195.2
[M+NH4]+ 358.17747 186.7
[M+K]+ 379.10681 191.1
[M-H]- 339.13637 185.1
[M+Na-2H]- 361.11832 188.3
[M]+ 340.14310 183.2
[M]- 340.14420 183.2
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