CID 16205613

85392-16-1

Structural Information

Molecular Formula
C18H17NO5
SMILES
CC(CCO)OC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C18H17NO5/c1-9(6-7-20)24-13-8-12(21)14-15(16(13)19)18(23)11-5-3-2-4-10(11)17(14)22/h2-5,8-9,20-21H,6-7,19H2,1H3
InChIKey
FFBROZXPFIYGRX-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-2-(4-hydroxybutan-2-yloxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1107 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.117976 172.9
[M+Na]+ 350.099918 181.2
[M-H]- 326.103424 175.6
[M+NH4]+ 345.144523 187.5
[M+K]+ 366.073858 177.1
[M+H-H2O]+ 310.107960 166.0
[M+HCOO]- 372.108901 189.9
[M+CH3COO]- 386.124551 211.4
[M+Na-2H]- 348.085366 175.2
[M]+ 327.11015142 174.2
[M]- 327.11124858 174.2
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.