CID 15954597

2-[2-[(4-carbamimidoylphenoxy)methoxy]phenyl]benzofuran-6-carboxamidine

Structural Information

Molecular Formula
C23H20N4O3
SMILES
C1=CC=C(C(=C1)C2=CC3=C(O2)C=C(C=C3)C(=N)N)OCOC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C23H20N4O3/c24-22(25)14-7-9-17(10-8-14)28-13-29-19-4-2-1-3-18(19)21-11-15-5-6-16(23(26)27)12-20(15)30-21/h1-12H,13H2,(H3,24,25)(H3,26,27)
InChIKey
UYUJBAWMADYANV-UHFFFAOYSA-N
Compound name
2-[2-[(4-carbamimidoylphenoxy)methoxy]phenyl]-1-benzofuran-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 194.1
[M+Na]+ 423.14275 199.8
[M-H]- 399.14625 205.2
[M+NH4]+ 418.18735 204.1
[M+K]+ 439.11669 195.7
[M+H-H2O]+ 383.15079 184.3
[M+HCOO]- 445.15173 219.2
[M+CH3COO]- 459.16738 203.7
[M+Na-2H]- 421.12820 197.1
[M]+ 400.15298 194.0
[M]- 400.15408 194.0
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.