CID 66487

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

406.13174 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.139016 194.6
[M+Na]+ 429.120958 201.9
[M-H]- 405.124464 204.6
[M+NH4]+ 424.165563 205.2
[M+K]+ 445.094898 194.6
[M+H-H2O]+ 389.129000 183.5
[M+HCOO]- 451.129941 214.8
[M+CH3COO]- 465.145591 203.7
[M+Na-2H]- 427.106406 200.3
[M]+ 406.13119142 192.9
[M]- 406.13228858 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

literature stripe

Patent stripe

patents stripe