CID 42607554

Prosogerin b

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C=C(C(=C1)C(=O)/C=C/C2=CC3=C(C=C2)OCO3)O)O
InChI
InChI=1S/C17H14O6/c1-21-16-7-11(13(19)8-14(16)20)12(18)4-2-10-3-5-15-17(6-10)23-9-22-15/h2-8,19-20H,9H2,1H3/b4-2+
InChIKey
ILLNHMJYZGWGBU-DUXPYHPUSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-5-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.086316 169.2
[M+Na]+ 337.068258 177.5
[M-H]- 313.071764 176.2
[M+NH4]+ 332.112863 182.6
[M+K]+ 353.042198 175.9
[M+H-H2O]+ 297.076300 163.0
[M+HCOO]- 359.077241 187.3
[M+CH3COO]- 373.092891 200.8
[M+Na-2H]- 335.053706 172.2
[M]+ 314.07849142 173.2
[M]- 314.07958858 173.2
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.