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]+ 328.11798 172.9
[M+Na]+ 350.09992 181.2
[M-H]- 326.10342 175.6
[M+NH4]+ 345.14452 187.5
[M+K]+ 366.07386 177.1
[M+H-H2O]+ 310.10796 166.0
[M+HCOO]- 372.10890 189.9
[M+CH3COO]- 386.12455 211.4
[M+Na-2H]- 348.08537 175.2
[M]+ 327.11015 174.2
[M]- 327.11125 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.