CID 5319471

3'-formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone

Structural Information

Molecular Formula
C18H16O6
SMILES
CC1=C(C(=C(C(=C1OC)C=O)O)C(=O)/C=C(/C2=CC=CC=C2)\O)O
InChI
InChI=1S/C18H16O6/c1-10-16(22)15(17(23)12(9-19)18(10)24-2)14(21)8-13(20)11-6-4-3-5-7-11/h3-9,20,22-23H,1-2H3/b13-8-
InChIKey
FYPNXPAVVGQFNL-JYRVWZFOSA-N
Compound name
2,4-dihydroxy-3-[(Z)-3-hydroxy-3-phenylprop-2-enoyl]-6-methoxy-5-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 172.5
[M+Na]+ 351.083918 180.1
[M-H]- 327.087424 176.0
[M+NH4]+ 346.128523 184.5
[M+K]+ 367.057858 176.3
[M+H-H2O]+ 311.091960 165.3
[M+HCOO]- 373.092901 190.6
[M+CH3COO]- 387.108551 204.6
[M+Na-2H]- 349.069366 171.4
[M]+ 328.09415142 174.6
[M]- 328.09524858 174.6
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.