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 204.2
[M+Na]+ 477.10572 211.6
[M-H]- 453.10922 211.4
[M+NH4]+ 472.15032 211.2
[M+K]+ 493.07966 205.9
[M+H-H2O]+ 437.11376 193.9
[M+HCOO]- 499.11470 220.1
[M+CH3COO]- 513.13035 211.7
[M+Na-2H]- 475.09117 207.4
[M]+ 454.11595 203.1
[M]- 454.11705 203.1
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.