CID 87343

Disperse red 53

Structural Information

Molecular Formula
C19H19NO6
SMILES
COCCOCCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C19H19NO6/c1-24-6-7-25-8-9-26-14-10-13(21)15-16(17(14)20)19(23)12-5-3-2-4-11(12)18(15)22/h2-5,10,21H,6-9,20H2,1H3
InChIKey
CRMKCODPIHHCGA-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
Patents

357.12125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12853 179.4
[M+Na]+ 380.11047 187.8
[M-H]- 356.11397 183.2
[M+NH4]+ 375.15507 193.4
[M+K]+ 396.08441 184.4
[M+H-H2O]+ 340.11851 171.5
[M+HCOO]- 402.11945 198.8
[M+CH3COO]- 416.13510 217.8
[M+Na-2H]- 378.09592 183.0
[M]+ 357.12070 184.9
[M]- 357.12180 184.9
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

patents stripe