CID 486285

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

Structural Information

Molecular Formula
C22H24N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)NC(=O)CCCCCCC(=O)NC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H24N6O2/c29-19(27-21-23-15-9-5-6-10-16(15)24-21)13-3-1-2-4-14-20(30)28-22-25-17-11-7-8-12-18(17)26-22/h5-12H,1-4,13-14H2,(H2,23,24,27,29)(H2,25,26,28,30)
InChIKey
IPSDBPHSWRNEID-UHFFFAOYSA-N
Compound name
N,N'-bis(1H-benzimidazol-2-yl)octanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.19608 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20336 192.0
[M+Na]+ 427.18530 197.9
[M-H]- 403.18880 193.8
[M+NH4]+ 422.22990 200.7
[M+K]+ 443.15924 190.6
[M+H-H2O]+ 387.19334 181.7
[M+HCOO]- 449.19428 210.2
[M+CH3COO]- 463.20993 199.5
[M+Na-2H]- 425.17075 195.8
[M]+ 404.19553 193.9
[M]- 404.19663 193.9
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.