CID 5476534

Chembl167255

Structural Information

Molecular Formula
C20H16N4O2
SMILES
C1=CC2=C(C=C1C(=N)N)C=C(O2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C20H16N4O2/c21-19(22)11-1-5-17-13(7-11)9-15(25-17)3-4-16-10-14-8-12(20(23)24)2-6-18(14)26-16/h1-10H,(H3,21,22)(H3,23,24)/b4-3+
InChIKey
MBFLUZMECMTQLU-ONEGZZNKSA-N
Compound name
2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

150
References

1733
Patents

344.12732 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13460 183.4
[M+Na]+ 367.11654 194.6
[M+NH4]+ 362.16114 190.1
[M+K]+ 383.09048 192.4
[M-H]- 343.12004 191.4
[M+Na-2H]- 365.10199 187.9
[M]+ 344.12677 187.0
[M]- 344.12787 187.0
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

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