CID 131751169

Omega-salicoyisalicin

Structural Information

Molecular Formula
C20H22O9
SMILES
C1=CC=C(C(=C1)COC(=O)C2=CC=CC=C2O)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C20H22O9/c21-9-15-16(23)17(24)18(25)20(29-15)28-14-8-4-1-5-11(14)10-27-19(26)12-6-2-3-7-13(12)22/h1-8,15-18,20-25H,9-10H2
InChIKey
YHBIHSCTXBGAIK-UHFFFAOYSA-N
Compound name
[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

406.12637 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.13365 191.0
[M+Na]+ 429.11559 194.9
[M-H]- 405.11909 194.8
[M+NH4]+ 424.16019 196.4
[M+K]+ 445.08953 193.6
[M+H-H2O]+ 389.12363 182.1
[M+HCOO]- 451.12457 202.5
[M+CH3COO]- 465.14022 213.6
[M+Na-2H]- 427.10104 189.5
[M]+ 406.12582 190.9
[M]- 406.12692 190.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe