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]+ 315.08632 169.2
[M+Na]+ 337.06826 177.5
[M-H]- 313.07176 176.2
[M+NH4]+ 332.11286 182.6
[M+K]+ 353.04220 175.9
[M+H-H2O]+ 297.07630 163.0
[M+HCOO]- 359.07724 187.3
[M+CH3COO]- 373.09289 200.8
[M+Na-2H]- 335.05371 172.2
[M]+ 314.07849 173.2
[M]- 314.07959 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.