CID 9574864

2,8-di(n-hydroxyamidino)dibenzofuran

Structural Information

Molecular Formula
C14H12N4O3
SMILES
C1=CC2=C(C3=C(O2)C=CC(=C3)/C(=N/O)/N)C=C1/C(=N/O)/N
InChI
InChI=1S/C14H12N4O3/c15-13(17-19)7-1-3-11-9(5-7)10-6-8(14(16)18-20)2-4-12(10)21-11/h1-6,19-20H,(H2,15,17)(H2,16,18)
InChIKey
AXKSMLVOXGWVQO-UHFFFAOYSA-N
Compound name
2-N',8-N'-dihydroxydibenzofuran-2,8-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09094 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.098216 159.7
[M+Na]+ 307.080158 167.7
[M-H]- 283.083664 166.0
[M+NH4]+ 302.124763 176.4
[M+K]+ 323.054098 165.4
[M+H-H2O]+ 267.088200 152.7
[M+HCOO]- 329.089141 185.2
[M+CH3COO]- 343.104791 209.8
[M+Na-2H]- 305.065606 166.4
[M]+ 284.09039142 159.9
[M]- 284.09148858 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.