CID 42607719

Coatline a

Structural Information

Molecular Formula
C21H24O10
SMILES
C1=CC(=CC=C1CC(C(=O)C2=C(C(=C(C=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)O)O
InChI
InChI=1S/C21H24O10/c22-8-14-18(28)19(29)20(30)21(31-14)15-12(24)6-5-11(17(15)27)16(26)13(25)7-9-1-3-10(23)4-2-9/h1-6,13-14,18-25,27-30H,7-8H2
InChIKey
CSATWRZOLKGPRW-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

436.13693 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.14421 199.0
[M+Na]+ 459.12615 201.9
[M-H]- 435.12965 199.2
[M+NH4]+ 454.17075 201.2
[M+K]+ 475.10009 200.5
[M+H-H2O]+ 419.13419 190.8
[M+HCOO]- 481.13513 204.5
[M+CH3COO]- 495.15078 219.0
[M+Na-2H]- 457.11160 193.4
[M]+ 436.13638 196.0
[M]- 436.13748 196.0
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