CID 124202088

(-)-epicatechin sulfate

Structural Information

Molecular Formula
C15H14O9S
SMILES
C1[C@H](C(OC2=C1C=C(C=C2O)O)C3=CC(=C(C=C3)O)O)OS(=O)(=O)O
InChI
InChI=1S/C15H14O9S/c16-9-3-8-5-13(24-25(20,21)22)15(23-14(8)12(19)6-9)7-1-2-10(17)11(18)4-7/h1-4,6,13,15-19H,5H2,(H,20,21,22)/t13-,15?/m1/s1
InChIKey
WTXWEAXATVSZQX-AFYYWNPRSA-N
Compound name
[(3R)-2-(3,4-dihydroxyphenyl)-6,8-dihydroxy-3,4-dihydro-2H-chromen-3-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

370.03586 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.04314 177.1
[M+Na]+ 393.02508 187.3
[M+NH4]+ 388.06968 181.1
[M+K]+ 408.99902 184.2
[M-H]- 369.02858 177.6
[M+Na-2H]- 391.01053 178.9
[M]+ 370.03531 178.8
[M]- 370.03641 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe