CID 6453140

55154-36-4

Structural Information

Molecular Formula
C28H21NO6
SMILES
C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N
InChI
InChI=1S/C28H21NO6/c29-26-23(16-22(30)24-25(26)28(32)21-9-5-4-8-20(21)27(24)31)35-19-12-10-18(11-13-19)34-15-14-33-17-6-2-1-3-7-17/h1-13,16,30H,14-15,29H2
InChIKey
XRESJEKELBUBIL-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-[4-(2-phenoxyethoxy)phenoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.1369 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.14418 211.4
[M+Na]+ 490.12612 218.4
[M-H]- 466.12962 221.0
[M+NH4]+ 485.17072 219.3
[M+K]+ 506.10006 213.3
[M+H-H2O]+ 450.13416 199.3
[M+HCOO]- 512.13510 229.4
[M+CH3COO]- 526.15075 219.4
[M+Na-2H]- 488.11157 214.0
[M]+ 467.13635 214.3
[M]- 467.13745 214.3
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.