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

168
Patents

357.12125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.128526 179.4
[M+Na]+ 380.110468 187.8
[M-H]- 356.113974 183.2
[M+NH4]+ 375.155073 193.4
[M+K]+ 396.084408 184.4
[M+H-H2O]+ 340.118510 171.5
[M+HCOO]- 402.119451 198.8
[M+CH3COO]- 416.135101 217.8
[M+Na-2H]- 378.095916 183.0
[M]+ 357.12070142 184.9
[M]- 357.12179858 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