CID 508458

Acetamide, n,n'-[2,5-furandiylbis(4,1-phenylene-1h-benzimidazole-2,1-diyl)]bis[2-amino-

Structural Information

Molecular Formula
C34H28N8O3
SMILES
C1=CC=C2C(=C1)N=C(N2NC(=O)CN)C3=CC=C(C=C3)C4=CC=C(O4)C5=CC=C(C=C5)C6=NC7=CC=CC=C7N6NC(=O)CN
InChI
InChI=1S/C34H28N8O3/c35-19-31(43)39-41-27-7-3-1-5-25(27)37-33(41)23-13-9-21(10-14-23)29-17-18-30(45-29)22-11-15-24(16-12-22)34-38-26-6-2-4-8-28(26)42(34)40-32(44)20-36/h1-18H,19-20,35-36H2,(H,39,43)(H,40,44)
InChIKey
GCPVQPNVOHASPI-UHFFFAOYSA-N
Compound name
2-amino-N-[2-[4-[5-[4-[1-[(2-aminoacetyl)amino]benzimidazol-2-yl]phenyl]furan-2-yl]phenyl]benzimidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.22845 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.23573 227.2
[M+Na]+ 619.21767 233.3
[M-H]- 595.22117 243.0
[M+NH4]+ 614.26227 228.4
[M+K]+ 635.19161 227.8
[M+H-H2O]+ 579.22571 216.3
[M+HCOO]- 641.22665 247.9
[M+CH3COO]- 655.24230 234.0
[M+Na-2H]- 617.20312 227.0
[M]+ 596.22790 231.2
[M]- 596.22900 231.2
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.