CID 25139354

Chembl484351

Structural Information

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.