CID 5318624

8-prenylkaempferol

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)O)C
InChI
InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15(23)16-17(24)18(25)19(26-20(13)16)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3
InChIKey
NADCVNHITZNGJU-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

309
Patents

354.11035 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.7
[M+Na]+ 377.09957 191.2
[M-H]- 353.10307 186.2
[M+NH4]+ 372.14417 192.3
[M+K]+ 393.07351 187.1
[M+H-H2O]+ 337.10761 174.3
[M+HCOO]- 399.10855 197.0
[M+CH3COO]- 413.12420 209.5
[M+Na-2H]- 375.08502 182.7
[M]+ 354.10980 184.4
[M]- 354.11090 184.4
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