CID 45360012

40951-69-7

Structural Information

Molecular Formula
C19H22O6
SMILES
COC1=C(C=CC(=C1)CC2COC(C2CO)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C19H22O6/c1-24-18-7-11(2-4-16(18)22)6-13-10-25-19(14(13)9-20)12-3-5-15(21)17(23)8-12/h2-5,7-8,13-14,19-23H,6,9-10H2,1H3
InChIKey
SNZZAHRDXCGWEM-UHFFFAOYSA-N
Compound name
4-[4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

22
Patents

346.14163 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 181.5
[M+Na]+ 369.13085 193.0
[M+NH4]+ 364.17545 187.1
[M+K]+ 385.10479 190.3
[M-H]- 345.13435 185.7
[M+Na-2H]- 367.11630 185.4
[M]+ 346.14108 184.1
[M]- 346.14218 184.1
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