CID 491718

5,7,4'-trihydroxy-8-methyl-6-prenylflavanone

Structural Information

Molecular Formula
C21H22O5
SMILES
CC1=C(C(=C(C2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)CC=C(C)C)O
InChI
InChI=1S/C21H22O5/c1-11(2)4-9-15-19(24)12(3)21-18(20(15)25)16(23)10-17(26-21)13-5-7-14(22)8-6-13/h4-8,17,22,24-25H,9-10H2,1-3H3/t17-/m0/s1
InChIKey
DBAAXPIMQWCLHT-KRWDZBQOSA-N
Compound name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-methyl-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

354.14673 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.154006 184.2
[M+Na]+ 377.135948 192.0
[M-H]- 353.139454 189.1
[M+NH4]+ 372.180553 195.5
[M+K]+ 393.109888 187.9
[M+H-H2O]+ 337.143990 176.9
[M+HCOO]- 399.144931 197.8
[M+CH3COO]- 413.160581 212.8
[M+Na-2H]- 375.121396 183.3
[M]+ 354.14618142 184.8
[M]- 354.14727858 184.8
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