CID 6453139

55154-34-2

Structural Information

Molecular Formula
C28H21NO5
SMILES
C1=CC=C(C=C1)CCOC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N
InChI
InChI=1S/C28H21NO5/c29-26-23(16-22(30)24-25(26)28(32)21-9-5-4-8-20(21)27(24)31)34-19-12-10-18(11-13-19)33-15-14-17-6-2-1-3-7-17/h1-13,16,30H,14-15,29H2
InChIKey
DMJUTUHSGONXGH-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-[4-(2-phenylethoxy)phenoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.14197 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.14925 209.1
[M+Na]+ 474.13119 216.5
[M-H]- 450.13469 218.7
[M+NH4]+ 469.17579 217.8
[M+K]+ 490.10513 210.4
[M+H-H2O]+ 434.13923 197.3
[M+HCOO]- 496.14017 227.1
[M+CH3COO]- 510.15582 217.3
[M+Na-2H]- 472.11664 211.4
[M]+ 451.14142 210.6
[M]- 451.14252 210.6
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

No patent data available for this compound.