CID 28531

Disperse red 60

Structural Information

Molecular Formula
C20H13NO4
SMILES
C1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C20H13NO4/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2
InChIKey
MHXFWEJMQVIWDH-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-phenoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

4249
Patents

331.08447 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09175 174.3
[M+Na]+ 354.07369 184.0
[M-H]- 330.07719 181.8
[M+NH4]+ 349.11829 188.9
[M+K]+ 370.04763 178.4
[M+H-H2O]+ 314.08173 165.6
[M+HCOO]- 376.08267 194.3
[M+CH3COO]- 390.09832 185.5
[M+Na-2H]- 352.05914 179.3
[M]+ 331.08392 174.6
[M]- 331.08502 174.6
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