CID 3928015

3-[4-[[4-(2,3-dihydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol

Structural Information

Molecular Formula
C19H24O6
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)OCC(CO)O)OCC(CO)O
InChI
InChI=1S/C19H24O6/c20-10-16(22)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(23)11-21/h1-8,16-17,20-23H,9-13H2
InChIKey
VGJRHUPDMVWBFM-UHFFFAOYSA-N
Compound name
3-[4-[[4-(2,3-dihydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

348.1573 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16458 181.7
[M+Na]+ 371.14652 184.7
[M-H]- 347.15002 182.2
[M+NH4]+ 366.19112 191.3
[M+K]+ 387.12046 181.3
[M+H-H2O]+ 331.15456 173.5
[M+HCOO]- 393.15550 197.4
[M+CH3COO]- 407.17115 204.0
[M+Na-2H]- 369.13197 181.5
[M]+ 348.15675 183.1
[M]- 348.15785 183.1
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