CID 15954619

5-benzofurancarboximidamide, n-hydroxy-2-[4-[3-[4-[(hydroxyamino)iminomethyl]phenoxy]propoxy]phenyl]-

Structural Information

Molecular Formula
C25H24N4O5
SMILES
C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)/C(=N/O)/N)OCCCOC4=CC=C(C=C4)/C(=N/O)/N
InChI
InChI=1S/C25H24N4O5/c26-24(28-30)17-4-9-21(10-5-17)33-13-1-12-32-20-7-2-16(3-8-20)23-15-19-14-18(25(27)29-31)6-11-22(19)34-23/h2-11,14-15,30-31H,1,12-13H2,(H2,26,28)(H2,27,29)
InChIKey
FOCHKUQYQVTAIT-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-[4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]phenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.17468 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.18196 207.4
[M+Na]+ 483.16390 211.6
[M-H]- 459.16740 218.1
[M+NH4]+ 478.20850 214.8
[M+K]+ 499.13784 209.0
[M+H-H2O]+ 443.17194 196.8
[M+HCOO]- 505.17288 232.0
[M+CH3COO]- 519.18853 242.8
[M+Na-2H]- 481.14935 209.9
[M]+ 460.17413 210.4
[M]- 460.17523 210.4
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.