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

10
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 177.9
[M+Na]+ 368.08932 187.1
[M-H]- 344.09282 185.7
[M+NH4]+ 363.13392 192.2
[M+K]+ 384.06326 181.6
[M+H-H2O]+ 328.09736 168.9
[M+HCOO]- 390.09830 198.1
[M+CH3COO]- 404.11395 188.9
[M+Na-2H]- 366.07477 183.4
[M]+ 345.09955 179.4
[M]- 345.10065 179.4
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