CID 460173

1h-benzimidazole-5-carboximidamide, 2,2'-(9h-fluorene-2,7-diyl)bis[n-(1-methylethyl)-

Structural Information

Molecular Formula
C35H34N8
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC4=C(C=C3)C5=C(C4)C=C(C=C5)C6=NC7=C(N6)C=C(C=C7)C(=NC(C)C)N)N
InChI
InChI=1S/C35H34N8/c1-18(2)38-32(36)20-7-11-28-30(16-20)42-34(40-28)22-5-9-26-24(13-22)15-25-14-23(6-10-27(25)26)35-41-29-12-8-21(17-31(29)43-35)33(37)39-19(3)4/h5-14,16-19H,15H2,1-4H3,(H2,36,38)(H2,37,39)(H,40,42)(H,41,43)
InChIKey
BGFGUGQQNFMTKN-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[7-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]-9H-fluoren-2-yl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

566.29065 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.29793 228.8
[M+Na]+ 589.27987 234.3
[M-H]- 565.28337 239.1
[M+NH4]+ 584.32447 235.0
[M+K]+ 605.25381 226.4
[M+H-H2O]+ 549.28791 219.1
[M+HCOO]- 611.28885 244.9
[M+CH3COO]- 625.30450 234.5
[M+Na-2H]- 587.26532 226.4
[M]+ 566.29010 230.3
[M]- 566.29120 230.3
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.