CID 131753130

6''-acetylliquiritin

Structural Information

Molecular Formula
C23H24O10
SMILES
CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C3CC(=O)C4=C(O3)C=C(C=C4)O)O)O)O
InChI
InChI=1S/C23H24O10/c1-11(24)30-10-19-20(27)21(28)22(29)23(33-19)31-14-5-2-12(3-6-14)17-9-16(26)15-7-4-13(25)8-18(15)32-17/h2-8,17,19-23,25,27-29H,9-10H2,1H3
InChIKey
HKUBLIRXXFRGKE-UHFFFAOYSA-N
Compound name
[3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

460.13693 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.14421 204.6
[M+Na]+ 483.12615 208.6
[M-H]- 459.12965 211.0
[M+NH4]+ 478.17075 208.0
[M+K]+ 499.10009 209.2
[M+H-H2O]+ 443.13419 195.1
[M+HCOO]- 505.13513 212.4
[M+CH3COO]- 519.15078 229.1
[M+Na-2H]- 481.11160 203.0
[M]+ 460.13638 205.7
[M]- 460.13748 205.7
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