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]+ 329.10198 172.5
[M+Na]+ 351.08392 180.1
[M-H]- 327.08742 176.0
[M+NH4]+ 346.12852 184.5
[M+K]+ 367.05786 176.3
[M+H-H2O]+ 311.09196 165.3
[M+HCOO]- 373.09290 190.6
[M+CH3COO]- 387.10855 204.6
[M+Na-2H]- 349.06937 171.4
[M]+ 328.09415 174.6
[M]- 328.09525 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.