CID 137553767

Chebi:143262

Structural Information

Molecular Formula
C20H26O6
SMILES
COC1=CC(=CC(=C1O)[C@H](CC2=CC(=C(C=C2)O)OC)CO)CCCO
InChI
InChI=1S/C20H26O6/c1-25-18-10-14(5-6-17(18)23)8-15(12-22)16-9-13(4-3-7-21)11-19(26-2)20(16)24/h5-6,9-11,15,21-24H,3-4,7-8,12H2,1-2H3/t15-/m1/s1
InChIKey
QTGXBVBJDIWUBL-OAHLLOKOSA-N
Compound name
2-[(2S)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-(3-hydroxypropyl)-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.17294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18022 186.0
[M+Na]+ 385.16216 191.5
[M-H]- 361.16566 187.5
[M+NH4]+ 380.20676 196.1
[M+K]+ 401.13610 187.8
[M+H-H2O]+ 345.17020 178.1
[M+HCOO]- 407.17114 202.2
[M+CH3COO]- 421.18679 210.0
[M+Na-2H]- 383.14761 184.4
[M]+ 362.17239 189.7
[M]- 362.17349 189.7
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.