CID 442154

(+)-afzelechin

Structural Information

Molecular Formula
C15H14O5
SMILES
C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15+/m0/s1
InChIKey
RSYUFYQTACJFML-DZGCQCFKSA-N
Compound name
(2R,3S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

50
References

1899
Patents

274.08414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.091416 159.1
[M+Na]+ 297.073358 167.2
[M-H]- 273.076864 162.9
[M+NH4]+ 292.117963 172.6
[M+K]+ 313.047298 163.7
[M+H-H2O]+ 257.081400 152.5
[M+HCOO]- 319.082341 174.0
[M+CH3COO]- 333.097991 191.0
[M+Na-2H]- 295.058806 163.5
[M]+ 274.08359142 157.2
[M]- 274.08468858 157.2
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