CID 3094361

38933-95-8

Structural Information

Molecular Formula
C16H13NO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NCCO
InChI
InChI=1S/C16H13NO4/c18-8-7-17-11-5-6-12(19)14-13(11)15(20)9-3-1-2-4-10(9)16(14)21/h1-6,17-19H,7-8H2
InChIKey
BZZAYWMGXWVQKV-UHFFFAOYSA-N
Compound name
1-hydroxy-4-(2-hydroxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

283.08447 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.091746 159.5
[M+Na]+ 306.073688 168.6
[M-H]- 282.077194 162.9
[M+NH4]+ 301.118293 176.2
[M+K]+ 322.047628 163.6
[M+H-H2O]+ 266.081730 152.9
[M+HCOO]- 328.082671 178.9
[M+CH3COO]- 342.098321 201.2
[M+Na-2H]- 304.059136 165.8
[M]+ 283.08392142 160.0
[M]- 283.08501858 160.0
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