CID 73981555

Cyanidin 4'-glucoside

Structural Information

Molecular Formula
C21H21O11
SMILES
C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-14-2-1-8(3-12(14)25)20-13(26)6-10-11(24)4-9(23)5-15(10)30-20/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
InChIKey
CSNMEDJMOXSNRZ-UHFFFAOYSA-O
Compound name
2-[3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromenylium-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

449.1084 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.11568 201.9
[M+Na]+ 472.09762 214.8
[M+NH4]+ 467.14222 205.3
[M+K]+ 488.07156 214.5
[M-H]- 448.10112 207.0
[M+Na-2H]- 470.08307 202.5
[M]+ 449.10785 205.1
[M]- 449.10895 205.1
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

No patent data available for this compound.