CID 486272

Schembl8870051

Structural Information

Molecular Formula
C36H36N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CCCCCCCCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C36H36N6O2/c43-33(37-27-21-17-25(18-22-27)35-39-29-11-7-8-12-30(29)40-35)15-5-3-1-2-4-6-16-34(44)38-28-23-19-26(20-24-28)36-41-31-13-9-10-14-32(31)42-36/h7-14,17-24H,1-6,15-16H2,(H,37,43)(H,38,44)(H,39,40)(H,41,42)
InChIKey
HTEWALGHYQUPEH-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(1H-benzimidazol-2-yl)phenyl]decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

584.29 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.29728 234.5
[M+Na]+ 607.27922 237.5
[M-H]- 583.28272 241.8
[M+NH4]+ 602.32382 234.8
[M+K]+ 623.25316 227.3
[M+H-H2O]+ 567.28726 221.4
[M+HCOO]- 629.28820 249.6
[M+CH3COO]- 643.30385 238.3
[M+Na-2H]- 605.26467 234.8
[M]+ 584.28945 236.1
[M]- 584.29055 236.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.