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

literature stripe

Patent stripe

patents stripe