CID 42607628

3'-angeloyloxy-2',4'-dihydroxy-6'-methoxychalcone

Structural Information

Molecular Formula
C21H20O6
SMILES
C/C=C(/C)\C(=O)OC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C21H20O6/c1-4-13(2)21(25)27-20-16(23)12-17(26-3)18(19(20)24)15(22)11-10-14-8-6-5-7-9-14/h4-12,23-24H,1-3H3/b11-10+,13-4-
InChIKey
ZQUOUZKTJWTBQE-VVWRKKLTSA-N
Compound name
[2,6-dihydroxy-4-methoxy-3-[(E)-3-phenylprop-2-enoyl]phenyl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12598 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 184.8
[M+Na]+ 391.11520 190.9
[M-H]- 367.11870 189.0
[M+NH4]+ 386.15980 195.6
[M+K]+ 407.08914 187.2
[M+H-H2O]+ 351.12324 176.9
[M+HCOO]- 413.12418 202.7
[M+CH3COO]- 427.13983 213.2
[M+Na-2H]- 389.10065 182.2
[M]+ 368.12543 187.9
[M]- 368.12653 187.9
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.