CID 145944413

Julichrome q6

Structural Information

Molecular Formula
C19H20O6
SMILES
C[C@H]([C@@H]1C2=C(C(=O)C[C@]1(C)O)C(=C3C(=C2)C=CC=C3O)O)OC(=O)C
InChI
InChI=1S/C19H20O6/c1-9(25-10(2)20)17-12-7-11-5-4-6-13(21)15(11)18(23)16(12)14(22)8-19(17,3)24/h4-7,9,17,21,23-24H,8H2,1-3H3/t9-,17-,19+/m1/s1
InChIKey
ITWYRVHXDMFLBT-BJBLRFPOSA-N
Compound name
[(1R)-1-[(1S,2S)-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl]ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.12598 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 177.6
[M+Na]+ 367.11520 188.8
[M+NH4]+ 362.15980 184.8
[M+K]+ 383.08914 182.8
[M-H]- 343.11870 177.6
[M+Na-2H]- 365.10065 180.0
[M]+ 344.12543 179.1
[M]- 344.12653 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe