CID 11737520

Chembl483399

Structural Information

Molecular Formula
C16H14N4O
SMILES
C1=CC(=CC(=C1)C(=N)N)C2=CC3=C(O2)C=CC(=C3)C(=N)N
InChI
InChI=1S/C16H14N4O/c17-15(18)10-3-1-2-9(6-10)14-8-12-7-11(16(19)20)4-5-13(12)21-14/h1-8H,(H3,17,18)(H3,19,20)
InChIKey
DBPVIEBPURYAMT-UHFFFAOYSA-N
Compound name
2-(3-carbamimidoylphenyl)-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

278.11676 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12404 163.6
[M+Na]+ 301.10598 171.0
[M-H]- 277.10948 172.1
[M+NH4]+ 296.15058 179.3
[M+K]+ 317.07992 166.9
[M+H-H2O]+ 261.11402 155.9
[M+HCOO]- 323.11496 189.7
[M+CH3COO]- 337.13061 175.5
[M+Na-2H]- 299.09143 168.1
[M]+ 278.11621 160.6
[M]- 278.11731 160.6
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