CID 104131

Einecs 257-769-2

Structural Information

Molecular Formula
C24H19NO7
SMILES
CCOC(=O)COC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C24H19NO7/c1-2-30-19(27)12-31-13-7-9-14(10-8-13)32-18-11-17(26)20-21(22(18)25)24(29)16-6-4-3-5-15(16)23(20)28/h3-11,26H,2,12,25H2,1H3
InChIKey
JYNOZFVFSQTKFP-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

433.11615 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12343 199.6
[M+Na]+ 456.10537 207.1
[M-H]- 432.10887 206.5
[M+NH4]+ 451.14997 209.5
[M+K]+ 472.07931 203.7
[M+H-H2O]+ 416.11341 189.6
[M+HCOO]- 478.11435 217.4
[M+CH3COO]- 492.13000 232.3
[M+Na-2H]- 454.09082 201.2
[M]+ 433.11560 204.3
[M]- 433.11670 204.3
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