CID 88395

20179-08-2

Structural Information

Molecular Formula
C22H15NO6
SMILES
CC(=O)OC1=CC=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N
InChI
InChI=1S/C22H15NO6/c1-11(24)28-12-6-8-13(9-7-12)29-17-10-16(25)18-19(20(17)23)22(27)15-5-3-2-4-14(15)21(18)26/h2-10,25H,23H2,1H3
InChIKey
FQNOCNXTYADZSJ-UHFFFAOYSA-N
Compound name
[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

389.08994 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09722 188.2
[M+Na]+ 412.07916 197.1
[M-H]- 388.08266 195.7
[M+NH4]+ 407.12376 200.3
[M+K]+ 428.05310 193.2
[M+H-H2O]+ 372.08720 179.0
[M+HCOO]- 434.08814 206.7
[M+CH3COO]- 448.10379 224.2
[M+Na-2H]- 410.06461 190.7
[M]+ 389.08939 191.0
[M]- 389.09049 191.0
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