CID 16659285

Ridinilazole

Structural Information

Molecular Formula
C24H16N6
SMILES
C1=CC2=C(C=C1C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5)NC(=N2)C6=CC=NC=C6
InChI
InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30)
InChIKey
UHQFBTAJFNVZIV-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

203
Patents

388.14365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15093 190.3
[M+Na]+ 411.13287 201.9
[M-H]- 387.13637 196.7
[M+NH4]+ 406.17747 197.1
[M+K]+ 427.10681 190.3
[M+H-H2O]+ 371.14091 177.8
[M+HCOO]- 433.14185 205.9
[M+CH3COO]- 447.15750 198.9
[M+Na-2H]- 409.11832 194.7
[M]+ 388.14310 190.4
[M]- 388.14420 190.4
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