CID 460067

4,4'-bis[2-(5-amidinobenzimidazoyl)]-2,5-diphenyl-furan

Structural Information

Molecular Formula
C32H24N8O
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=N)N)C6=NC7=C(N6)C=C(C=C7)C(=N)N
InChI
InChI=1S/C32H24N8O/c33-29(34)21-9-11-23-25(15-21)39-31(37-23)19-5-1-17(2-6-19)27-13-14-28(41-27)18-3-7-20(8-4-18)32-38-24-12-10-22(30(35)36)16-26(24)40-32/h1-16H,(H3,33,34)(H3,35,36)(H,37,39)(H,38,40)
InChIKey
ZPPGYHJWOCWXBR-UHFFFAOYSA-N
Compound name
2-[4-[5-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]furan-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

536.20734 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.21462 213.0
[M+Na]+ 559.19656 220.2
[M-H]- 535.20006 226.8
[M+NH4]+ 554.24116 215.7
[M+K]+ 575.17050 211.9
[M+H-H2O]+ 519.20460 203.5
[M+HCOO]- 581.20554 231.7
[M+CH3COO]- 595.22119 220.0
[M+Na-2H]- 557.18201 212.9
[M]+ 536.20679 211.7
[M]- 536.20789 211.7
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.