CID 459925

2,5-bis(5-amidino-2-benzimidazolyl)furan

Structural Information

Molecular Formula
C20H16N8O
SMILES
C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC=C(O3)C4=NC5=C(N4)C=C(C=C5)C(=N)N
InChI
InChI=1S/C20H16N8O/c21-17(22)9-1-3-11-13(7-9)27-19(25-11)15-5-6-16(29-15)20-26-12-4-2-10(18(23)24)8-14(12)28-20/h1-8H,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28)
InChIKey
FZFQYUOWNRDPNY-UHFFFAOYSA-N
Compound name
2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)furan-2-yl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

183
Patents

384.1447 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15198 182.0
[M+Na]+ 407.13392 191.0
[M-H]- 383.13742 190.0
[M+NH4]+ 402.17852 191.6
[M+K]+ 423.10786 184.7
[M+H-H2O]+ 367.14196 173.8
[M+HCOO]- 429.14290 202.9
[M+CH3COO]- 443.15855 191.6
[M+Na-2H]- 405.11937 184.2
[M]+ 384.14415 180.5
[M]- 384.14525 180.5
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.