CID 486284

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

Structural Information

Molecular Formula
C20H20N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)CCCCC(=O)NC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H20N6O2/c27-17(25-19-21-13-7-1-2-8-14(13)22-19)11-5-6-12-18(28)26-20-23-15-9-3-4-10-16(15)24-20/h1-4,7-10H,5-6,11-12H2,(H2,21,22,25,27)(H2,23,24,26,28)
InChIKey
XGNYYHJCSHHAPI-UHFFFAOYSA-N
Compound name
N,N'-bis(1H-benzimidazol-2-yl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.16476 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17204 183.6
[M+Na]+ 399.15398 190.6
[M-H]- 375.15748 185.8
[M+NH4]+ 394.19858 193.5
[M+K]+ 415.12792 183.6
[M+H-H2O]+ 359.16202 173.7
[M+HCOO]- 421.16296 202.6
[M+CH3COO]- 435.17861 192.1
[M+Na-2H]- 397.13943 188.4
[M]+ 376.16421 185.0
[M]- 376.16531 185.0
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.