CID 483665

Chembl298210

Structural Information

Molecular Formula
C32H28N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CCCCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C32H28N6O2/c39-29(33-23-17-13-21(14-18-23)31-35-25-7-1-2-8-26(25)36-31)11-5-6-12-30(40)34-24-19-15-22(16-20-24)32-37-27-9-3-4-10-28(27)38-32/h1-4,7-10,13-20H,5-6,11-12H2,(H,33,39)(H,34,40)(H,35,36)(H,37,38)
InChIKey
NSIWMUKTEQBIHO-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(1H-benzimidazol-2-yl)phenyl]hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

528.22736 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.23464 219.3
[M+Na]+ 551.21658 224.3
[M-H]- 527.22008 227.4
[M+NH4]+ 546.26118 221.9
[M+K]+ 567.19052 214.7
[M+H-H2O]+ 511.22462 207.0
[M+HCOO]- 573.22556 235.9
[M+CH3COO]- 587.24121 224.8
[M+Na-2H]- 549.20203 221.4
[M]+ 528.22681 219.9
[M]- 528.22791 219.9
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.