CID 14078178

Kaempferol 3-o-alpha-l-rhamnofuranoside

Structural Information

Molecular Formula
C21H20O10
SMILES
CC(C1C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
InChI
InChI=1S/C21H20O10/c1-8(22)18-16(27)17(28)21(30-18)31-20-15(26)14-12(25)6-11(24)7-13(14)29-19(20)9-2-4-10(23)5-3-9/h2-8,16-18,21-25,27-28H,1H3
InChIKey
FFFIPDPCGREKEW-UHFFFAOYSA-N
Compound name
3-[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.10565 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.112926 195.7
[M+Na]+ 455.094868 202.7
[M-H]- 431.098374 201.7
[M+NH4]+ 450.139473 201.4
[M+K]+ 471.068808 202.4
[M+H-H2O]+ 415.102910 188.7
[M+HCOO]- 477.103851 206.0
[M+CH3COO]- 491.119501 220.8
[M+Na-2H]- 453.080316 193.7
[M]+ 432.10510142 198.9
[M]- 432.10619858 198.9
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

No patent data available for this compound.