CID 135415331

4,4'-bis[2-(5-(n-isopropylamidino)-benzimidazoyl)]-2,5-diphenylfuran

Structural Information

Molecular Formula
C38H36N8O
SMILES
CC(C)NC(=N)C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=CC=C(O4)C5=CC=C(C=C5)C6=NC7=C(N6)C=C(C=C7)C(=N)NC(C)C
InChI
InChI=1S/C38H36N8O/c1-21(2)41-35(39)27-13-15-29-31(19-27)45-37(43-29)25-9-5-23(6-10-25)33-17-18-34(47-33)24-7-11-26(12-8-24)38-44-30-16-14-28(20-32(30)46-38)36(40)42-22(3)4/h5-22H,1-4H3,(H2,39,41)(H2,40,42)(H,43,45)(H,44,46)
InChIKey
JOMQWLDKDNLGEC-UHFFFAOYSA-N
Compound name
N-propan-2-yl-2-[4-[5-[4-[6-(N-propan-2-ylcarbamimidoyl)-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

620.3012 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.30848 236.8
[M+Na]+ 643.29042 240.2
[M-H]- 619.29392 250.6
[M+NH4]+ 638.33502 236.4
[M+K]+ 659.26436 233.2
[M+H-H2O]+ 603.29846 226.7
[M+HCOO]- 665.29940 252.6
[M+CH3COO]- 679.31505 241.4
[M+Na-2H]- 641.27587 233.9
[M]+ 620.30065 237.4
[M]- 620.30175 237.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.