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

4
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 176.7
[M+Na]+ 367.11520 184.8
[M-H]- 343.11870 178.5
[M+NH4]+ 362.15980 192.5
[M+K]+ 383.08914 181.7
[M+H-H2O]+ 327.12324 171.2
[M+HCOO]- 389.12418 189.1
[M+CH3COO]- 403.13983 209.9
[M+Na-2H]- 365.10065 178.1
[M]+ 344.12543 178.2
[M]- 344.12653 178.2
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.