CID 16205090

2-hydroxy-1,4-bis(phenylamino)anthraquinone

Structural Information

Molecular Formula
C26H18N2O3
SMILES
C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)NC5=CC=CC=C5)O
InChI
InChI=1S/C26H18N2O3/c29-21-15-20(27-16-9-3-1-4-10-16)22-23(24(21)28-17-11-5-2-6-12-17)26(31)19-14-8-7-13-18(19)25(22)30/h1-15,27-29H
InChIKey
LIOMCOAUQFHZKI-UHFFFAOYSA-N
Compound name
1,4-dianilino-2-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.13174 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13902 194.6
[M+Na]+ 429.12096 201.9
[M-H]- 405.12446 204.6
[M+NH4]+ 424.16556 205.2
[M+K]+ 445.09490 194.6
[M+H-H2O]+ 389.12900 183.5
[M+HCOO]- 451.12994 214.8
[M+CH3COO]- 465.14559 203.7
[M+Na-2H]- 427.10641 200.3
[M]+ 406.13119 192.9
[M]- 406.13229 192.9
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.