CID 15954601

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

Structural Information

Molecular Formula
C24H22N4O3
SMILES
C1=CC=C(C(=C1)C2=CC3=C(O2)C=C(C=C3)C(=N)N)OCCOC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C24H22N4O3/c25-23(26)15-7-9-18(10-8-15)29-11-12-30-20-4-2-1-3-19(20)22-13-16-5-6-17(24(27)28)14-21(16)31-22/h1-10,13-14H,11-12H2,(H3,25,26)(H3,27,28)
InChIKey
OPGCCEDJLGHPBP-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-carbamimidoylphenoxy)ethoxy]phenyl]-1-benzofuran-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1692 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17648 198.5
[M+Na]+ 437.15842 203.7
[M-H]- 413.16192 209.3
[M+NH4]+ 432.20302 207.9
[M+K]+ 453.13236 199.5
[M+H-H2O]+ 397.16646 188.5
[M+HCOO]- 459.16740 223.2
[M+CH3COO]- 473.18305 207.6
[M+Na-2H]- 435.14387 201.0
[M]+ 414.16865 198.7
[M]- 414.16975 198.7
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.