CID 3010580

Chembl166294

Structural Information

Molecular Formula
C21H16N6O2
SMILES
C1=CC2=C(C=C1C(=N)N)C=C(O2)C3=CN=C(N3)C4=CC5=C(O4)C=CC(=C5)C(=N)N
InChI
InChI=1S/C21H16N6O2/c22-19(23)10-1-3-15-12(5-10)7-17(28-15)14-9-26-21(27-14)18-8-13-6-11(20(24)25)2-4-16(13)29-18/h1-9H,(H3,22,23)(H3,24,25)(H,26,27)
InChIKey
OEBIMDDLKOKDPO-UHFFFAOYSA-N
Compound name
2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)-1H-imidazol-5-yl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

384.13348 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14076 185.8
[M+Na]+ 407.12270 194.9
[M-H]- 383.12620 197.5
[M+NH4]+ 402.16730 197.2
[M+K]+ 423.09664 190.7
[M+H-H2O]+ 367.13074 178.8
[M+HCOO]- 429.13168 209.4
[M+CH3COO]- 443.14733 196.7
[M+Na-2H]- 405.10815 187.8
[M]+ 384.13293 187.0
[M]- 384.13403 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.