CID 5320958

Rheidin b

Structural Information

Molecular Formula
C30H20O8
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=CC=C3O
InChI
InChI=1S/C30H20O8/c1-12-8-16-22(14-4-2-6-18(31)24(14)28(35)26(16)20(33)9-12)23-15-5-3-7-19(32)25(15)29(36)27-17(23)10-13(30(37)38)11-21(27)34/h2-11,22-23,31-34H,1H3,(H,37,38)
InChIKey
BYPYDHLERFKKKV-UHFFFAOYSA-N
Compound name
9-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.1158 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.12308 220.9
[M+Na]+ 531.10502 236.5
[M+NH4]+ 526.14962 226.4
[M+K]+ 547.07896 229.8
[M-H]- 507.10852 224.7
[M+Na-2H]- 529.09047 222.3
[M]+ 508.11525 224.2
[M]- 508.11635 224.2
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.