CID 25203650

Hemigossypolone-6-methyl ether

Structural Information

Molecular Formula
C16H18O5
SMILES
CC1CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)OC)O)C=O
InChI
InChI=1S/C16H18O5/c1-7(2)11-13-12(10(18)5-8(3)14(13)19)9(6-17)15(20)16(11)21-4/h6-8,20H,5H2,1-4H3
InChIKey
NHXUWASKMTXOKF-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxy-6-methyl-5,8-dioxo-4-propan-2-yl-6,7-dihydronaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

290.11542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12270 164.2
[M+Na]+ 313.10464 176.4
[M+NH4]+ 308.14924 170.3
[M+K]+ 329.07858 171.5
[M-H]- 289.10814 164.6
[M+Na-2H]- 311.09009 166.0
[M]+ 290.11487 165.8
[M]- 290.11597 165.8
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.