CID 15954965

5-benzofurancarboximidamide, 2,2'-(1,5-pentanediyl)bis[n-methoxy-

Structural Information

Molecular Formula
C25H28N4O4
SMILES
CO/N=C(\N)/C1=CC2=C(OC(=C2)CCCCCC3=CC4=C(O3)C=CC(=C4)/C(=N/OC)/N)C=C1
InChI
InChI=1S/C25H28N4O4/c1-30-28-24(26)16-8-10-22-18(12-16)14-20(32-22)6-4-3-5-7-21-15-19-13-17(25(27)29-31-2)9-11-23(19)33-21/h8-15H,3-7H2,1-2H3,(H2,26,28)(H2,27,29)
InChIKey
FXWVSVRUMVMMCQ-UHFFFAOYSA-N
Compound name
N'-methoxy-2-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.21106 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.21834 211.8
[M+Na]+ 471.20028 218.1
[M-H]- 447.20378 224.0
[M+NH4]+ 466.24488 223.3
[M+K]+ 487.17422 216.6
[M+H-H2O]+ 431.20832 203.0
[M+HCOO]- 493.20926 238.8
[M+CH3COO]- 507.22491 245.8
[M+Na-2H]- 469.18573 213.8
[M]+ 448.21051 221.0
[M]- 448.21161 221.0
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.