CID 6479749

Chembl354139

Structural Information

Molecular Formula
C19H18N4O
SMILES
C/C(=C\C1=CC2=C(O1)C=CC(=C2)C(=N)N)/C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C19H18N4O/c1-11(12-2-4-13(5-3-12)18(20)21)8-16-10-15-9-14(19(22)23)6-7-17(15)24-16/h2-10H,1H3,(H3,20,21)(H3,22,23)/b11-8+
InChIKey
UCEMWHBCRSZWOR-DHZHZOJOSA-N
Compound name
2-[(E)-2-(4-carbamimidoylphenyl)prop-1-enyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.14807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 178.1
[M+Na]+ 341.13729 184.1
[M-H]- 317.14079 186.1
[M+NH4]+ 336.18189 192.0
[M+K]+ 357.11123 179.4
[M+H-H2O]+ 301.14533 170.0
[M+HCOO]- 363.14627 202.2
[M+CH3COO]- 377.16192 219.2
[M+Na-2H]- 339.12274 179.7
[M]+ 318.14752 174.6
[M]- 318.14862 174.6
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

No patent data available for this compound.