CID 42607546

Ramosismin

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC(=C(C=C2O)O)O)O)C
InChI
InChI=1S/C20H20O6/c1-11(2)3-5-13-16(22)8-6-14(20(13)26)15(21)7-4-12-9-18(24)19(25)10-17(12)23/h3-4,6-10,22-26H,5H2,1-2H3/b7-4+
InChIKey
GMUQYFZXKQJSME-QPJJXVBHSA-N
Compound name
(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4,5-trihydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.6
[M+Na]+ 379.11520 189.4
[M-H]- 355.11870 183.4
[M+NH4]+ 374.15980 192.4
[M+K]+ 395.08914 183.8
[M+H-H2O]+ 339.12324 175.8
[M+HCOO]- 401.12418 196.9
[M+CH3COO]- 415.13983 207.2
[M+Na-2H]- 377.10065 178.8
[M]+ 356.12543 182.1
[M]- 356.12653 182.1
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.