CID 90158

1-p-anisidino-4-hydroxyanthraquinone

Structural Information

Molecular Formula
C21H15NO4
SMILES
COC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H15NO4/c1-26-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
InChIKey
RUUQNDPKAFJWBM-UHFFFAOYSA-N
Compound name
1-hydroxy-4-(4-methoxyanilino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

345.1001 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10738 179.6
[M+Na]+ 368.08932 195.8
[M+NH4]+ 363.13392 188.0
[M+K]+ 384.06326 187.1
[M-H]- 344.09282 185.4
[M+Na-2H]- 366.07477 187.2
[M]+ 345.09955 183.7
[M]- 345.10065 183.7
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

patents stripe