CID 91476522

Rhamnalpinogenin

Structural Information

Molecular Formula
C17H12O7
SMILES
CC1=C2C(=CC(=C1C(=O)O)OC)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
InChI
InChI=1S/C17H12O7/c1-6-12-9(5-11(24-2)13(6)17(22)23)15(20)8-3-7(18)4-10(19)14(8)16(12)21/h3-5,18-19H,1-2H3,(H,22,23)
InChIKey
QEHCRDXGPIFLOF-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-3-methoxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.0583 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06558 167.3
[M+Na]+ 351.04752 178.1
[M-H]- 327.05102 170.2
[M+NH4]+ 346.09212 182.0
[M+K]+ 367.02146 174.9
[M+H-H2O]+ 311.05556 161.3
[M+HCOO]- 373.05650 183.1
[M+CH3COO]- 387.07215 208.3
[M+Na-2H]- 349.03297 169.4
[M]+ 328.05775 171.3
[M]- 328.05885 171.3
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

No patent data available for this compound.