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]+ 461.181956 207.4
[M+Na]+ 483.163898 211.6
[M-H]- 459.167404 218.1
[M+NH4]+ 478.208503 214.8
[M+K]+ 499.137838 209.0
[M+H-H2O]+ 443.171940 196.8
[M+HCOO]- 505.172881 232.0
[M+CH3COO]- 519.188531 242.8
[M+Na-2H]- 481.149346 209.9
[M]+ 460.17413142 210.4
[M]- 460.17522858 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.