CID 52491

1,4-do-5,8-dapfa [russian]

Structural Information

Molecular Formula
C26H18N2O6
SMILES
C1=CC(=CC=C1NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)O)C(=O)C5=C(C=CC(=C5C3=O)O)O)O
InChI
InChI=1S/C26H18N2O6/c29-15-5-1-13(2-6-15)27-17-9-10-18(28-14-3-7-16(30)8-4-14)22-21(17)25(33)23-19(31)11-12-20(32)24(23)26(22)34/h1-12,27-32H
InChIKey
XYDRCEFGDMZLOL-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-5,8-bis(4-hydroxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1165 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.12378 209.2
[M+Na]+ 477.10572 224.2
[M+NH4]+ 472.15032 215.0
[M+K]+ 493.07966 216.8
[M-H]- 453.10922 215.8
[M+Na-2H]- 475.09117 215.5
[M]+ 454.11595 213.1
[M]- 454.11705 213.1
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.