CID 486286

N,n'-bis(1h-benzimidazol-2-yl)nonanediamide

Structural Information

Molecular Formula
C23H26N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)CCCCCCCC(=O)NC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C23H26N6O2/c30-20(28-22-24-16-10-6-7-11-17(16)25-22)14-4-2-1-3-5-15-21(31)29-23-26-18-12-8-9-13-19(18)27-23/h6-13H,1-5,14-15H2,(H2,24,25,28,30)(H2,26,27,29,31)
InChIKey
SJONIAPCMTYQRY-UHFFFAOYSA-N
Compound name
N,N'-bis(1H-benzimidazol-2-yl)nonanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.21173 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.21901 196.1
[M+Na]+ 441.20095 201.6
[M-H]- 417.20445 197.7
[M+NH4]+ 436.24555 204.2
[M+K]+ 457.17489 194.1
[M+H-H2O]+ 401.20899 185.6
[M+HCOO]- 463.20993 214.0
[M+CH3COO]- 477.22558 203.2
[M+Na-2H]- 439.18640 199.5
[M]+ 418.21118 198.3
[M]- 418.21228 198.3
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

No patent data available for this compound.