CID 155094

6-prenylnaringenin

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1
InChIKey
YHWNASRGLKJRJJ-KRWDZBQOSA-N
Compound name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

40
References

848
Patents

340.13107 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.138346 179.7
[M+Na]+ 363.120288 187.1
[M-H]- 339.123794 184.3
[M+NH4]+ 358.164893 191.2
[M+K]+ 379.094228 183.0
[M+H-H2O]+ 323.128330 172.4
[M+HCOO]- 385.129271 193.6
[M+CH3COO]- 399.144921 208.4
[M+Na-2H]- 361.105736 180.0
[M]+ 340.13052142 179.5
[M]- 340.13161858 179.5
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