CID 131752265

Cyanidin 7-arabinoside

Structural Information

Molecular Formula
C20H19O10
SMILES
C1C(C(C(C(O1)OC2=CC(=C3C=C(C(=[O+]C3=C2)C4=CC(=C(C=C4)O)O)O)O)O)O)O
InChI
InChI=1S/C20H18O10/c21-11-2-1-8(3-13(11)23)19-14(24)6-10-12(22)4-9(5-16(10)30-19)29-20-18(27)17(26)15(25)7-28-20/h1-6,15,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1
InChIKey
ITSUAAYFFATPLH-UHFFFAOYSA-O
Compound name
2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromenylium-7-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

419.0978 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.10508 194.1
[M+Na]+ 442.08702 208.0
[M+NH4]+ 437.13162 198.6
[M+K]+ 458.06096 206.8
[M-H]- 418.09052 200.1
[M+Na-2H]- 440.07247 196.3
[M]+ 419.09725 197.8
[M]- 419.09835 197.8
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