CID 12846318

Mphpv ii

Structural Information

Molecular Formula
C17H18O6
SMILES
COC1=CC=CC=C1O[C@H](CO)C(=O)C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C17H18O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16,18-19H,10H2,1-2H3/t16-/m1/s1
InChIKey
BUJCVBRLTBAYCW-MRXNPFEDSA-N
Compound name
(2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

318.11035 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11763 170.9
[M+Na]+ 341.09957 177.0
[M-H]- 317.10307 175.1
[M+NH4]+ 336.14417 183.5
[M+K]+ 357.07351 175.1
[M+H-H2O]+ 301.10761 163.0
[M+HCOO]- 363.10855 190.5
[M+CH3COO]- 377.12420 203.1
[M+Na-2H]- 339.08502 172.1
[M]+ 318.10980 175.1
[M]- 318.11090 175.1
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

No patent data available for this compound.