CID 14412534

2',4',5''-trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone

Structural Information

Molecular Formula
C21H24O5
SMILES
CC1=C(C2=C(C(=C1O)C(=O)CCC3=CC=CC=C3)OC([C@H](C2)O)(C)C)O
InChI
InChI=1S/C21H24O5/c1-12-18(24)14-11-16(23)21(2,3)26-20(14)17(19(12)25)15(22)10-9-13-7-5-4-6-8-13/h4-8,16,23-25H,9-11H2,1-3H3/t16-/m0/s1
InChIKey
BAHXHQFEFUBNER-INIZCTEOSA-N
Compound name
3-phenyl-1-[(3S)-3,5,7-trihydroxy-2,2,6-trimethyl-3,4-dihydrochromen-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 184.8
[M+Na]+ 379.15160 192.4
[M-H]- 355.15510 189.5
[M+NH4]+ 374.19620 197.8
[M+K]+ 395.12554 189.1
[M+H-H2O]+ 339.15964 177.8
[M+HCOO]- 401.16058 198.1
[M+CH3COO]- 415.17623 212.2
[M+Na-2H]- 377.13705 185.9
[M]+ 356.16183 186.1
[M]- 356.16293 186.1
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.