CID 15736235

Pratensin a

Structural Information

Molecular Formula
C23H22O9
SMILES
C/C=C(\C)/C(=O)OC1=C2C(=C(C(=C1O)OC)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC
InChI
InChI=1S/C23H22O9/c1-6-11(2)23(27)32-22-17(26)20(29-4)15(24)14-16(25)21(30-5)18(31-19(14)22)12-7-9-13(28-3)10-8-12/h6-10,24,26H,1-5H3/b11-6+
InChIKey
MJKSKSYTKXRLCZ-IZZDOVSWSA-N
Compound name
[5,7-dihydroxy-3,6-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.12637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13365 200.0
[M+Na]+ 465.11559 208.8
[M-H]- 441.11909 206.9
[M+NH4]+ 460.16019 207.9
[M+K]+ 481.08953 208.5
[M+H-H2O]+ 425.12363 191.0
[M+HCOO]- 487.12457 216.8
[M+CH3COO]- 501.14022 230.7
[M+Na-2H]- 463.10104 199.3
[M]+ 442.12582 210.5
[M]- 442.12692 210.5
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.