CID 15291553

3,2',4',6'-tetrahydroxy-4-methoxy-3',5-diprenyldihydrochalcone

Structural Information

Molecular Formula
C26H32O6
SMILES
CC(=CCC1=C(C(=CC(=C1)CCC(=O)C2=C(C=C(C(=C2O)CC=C(C)C)O)O)O)OC)C
InChI
InChI=1S/C26H32O6/c1-15(2)6-9-18-12-17(13-23(30)26(18)32-5)8-11-20(27)24-22(29)14-21(28)19(25(24)31)10-7-16(3)4/h6-7,12-14,28-31H,8-11H2,1-5H3
InChIKey
BIIFTUNBVKLFER-UHFFFAOYSA-N
Compound name
3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

440.21988 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.22716 207.3
[M+Na]+ 463.20910 212.4
[M-H]- 439.21260 208.7
[M+NH4]+ 458.25370 214.5
[M+K]+ 479.18304 207.3
[M+H-H2O]+ 423.21714 199.7
[M+HCOO]- 485.21808 220.1
[M+CH3COO]- 499.23373 229.2
[M+Na-2H]- 461.19455 199.2
[M]+ 440.21933 210.5
[M]- 440.22043 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

patents stripe