CID 3010565

2-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]benzofuran-5-carboxamidine

Structural Information

Molecular Formula
C18H16N4O
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C3=CC4=C(O3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C18H16N4O/c19-17(20)13-5-6-15-14(9-13)10-16(23-15)11-1-3-12(4-2-11)18-21-7-8-22-18/h1-6,9-10H,7-8H2,(H3,19,20)(H,21,22)
InChIKey
PHZVVTYSMBRKMJ-UHFFFAOYSA-N
Compound name
2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.13242 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 168.0
[M+Na]+ 327.12164 176.0
[M-H]- 303.12514 176.3
[M+NH4]+ 322.16624 181.7
[M+K]+ 343.09558 170.4
[M+H-H2O]+ 287.12968 159.4
[M+HCOO]- 349.13062 189.6
[M+CH3COO]- 363.14627 179.2
[M+Na-2H]- 325.10709 170.9
[M]+ 304.13187 165.6
[M]- 304.13297 165.6
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.