CID 16205649

85946-14-1

Structural Information

Molecular Formula
C23H19NO5
SMILES
CC1=CC(=CC=C1)OCCOC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C23H19NO5/c1-13-5-4-6-14(11-13)28-9-10-29-18-12-17(25)19-20(21(18)24)23(27)16-8-3-2-7-15(16)22(19)26/h2-8,11-12,25H,9-10,24H2,1H3
InChIKey
PRFLHIULISVRAU-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-[2-(3-methylphenoxy)ethoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

389.1263 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13358 191.3
[M+Na]+ 412.11552 200.1
[M-H]- 388.11902 198.5
[M+NH4]+ 407.16012 203.6
[M+K]+ 428.08946 195.0
[M+H-H2O]+ 372.12356 181.8
[M+HCOO]- 434.12450 210.2
[M+CH3COO]- 448.14015 225.0
[M+Na-2H]- 410.10097 194.1
[M]+ 389.12575 194.3
[M]- 389.12685 194.3
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

patents stripe