CID 74079809

Cyanidin 3-arabinoside

Structural Information

Molecular Formula
C20H19O10
SMILES
C1C(C(C(C(O1)OC2=CC3=C(C=C(C=C3[O+]=C2C4=CC(=C(C=C4)O)O)O)O)O)O)O
InChI
InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/p+1
InChIKey
KUCVMQMKRICXJC-UHFFFAOYSA-O
Compound name
2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

literature stripe

Patent stripe

patents stripe