CID 10380295

Meciadanol

Structural Information

Molecular Formula
C16H16O6
SMILES
CO[C@H]1CC2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C=C3)O)O)O)O
InChI
InChI=1S/C16H16O6/c1-21-15-7-10-12(19)5-9(17)6-14(10)22-16(15)8-2-3-11(18)13(20)4-8/h2-6,15-20H,7H2,1H3/t15-,16+/m0/s1
InChIKey
PDHSAQOQVUXZGQ-JKSUJKDBSA-N
Compound name
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-methoxy-3,4-dihydro-2H-chromene-5,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

7140
Patents

304.0947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10198 167.4
[M+Na]+ 327.08392 180.6
[M+NH4]+ 322.12852 173.9
[M+K]+ 343.05786 176.1
[M-H]- 303.08742 170.9
[M+Na-2H]- 325.06937 171.3
[M]+ 304.09415 170.1
[M]- 304.09525 170.1
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