CID 486271

N,n'-bis[4-(1h-benzimidazol-2-yl)phenyl]nonanediamide

Structural Information

Molecular Formula
C35H34N6O2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=O)CCCCCCCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C35H34N6O2/c42-32(36-26-20-16-24(17-21-26)34-38-28-10-6-7-11-29(28)39-34)14-4-2-1-3-5-15-33(43)37-27-22-18-25(19-23-27)35-40-30-12-8-9-13-31(30)41-35/h6-13,16-23H,1-5,14-15H2,(H,36,42)(H,37,43)(H,38,39)(H,40,41)
InChIKey
RJSNCXJUYGKDSW-UHFFFAOYSA-N
Compound name
N,N'-bis[4-(1H-benzimidazol-2-yl)phenyl]nonanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

570.27435 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.28163 230.8
[M+Na]+ 593.26357 234.2
[M-H]- 569.26707 238.2
[M+NH4]+ 588.30817 231.6
[M+K]+ 609.23751 224.2
[M+H-H2O]+ 553.27161 217.8
[M+HCOO]- 615.27255 246.2
[M+CH3COO]- 629.28820 234.9
[M+Na-2H]- 591.24902 231.5
[M]+ 570.27380 232.1
[M]- 570.27490 232.1
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.