CID 441777

Rosinidin

Structural Information

Molecular Formula
C17H15O6
SMILES
COC1=CC(=C2C=C(C(=[O+]C2=C1)C3=CC(=C(C=C3)O)OC)O)O
InChI
InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1
InChIKey
GNONHFYAESLOCB-UHFFFAOYSA-O
Compound name
2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromenylium-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

773
Patents

315.08685 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09413 172.3
[M+Na]+ 338.07607 181.9
[M-H]- 314.07957 178.4
[M+NH4]+ 333.12067 184.7
[M+K]+ 354.05001 174.0
[M+H-H2O]+ 298.08411 167.3
[M+HCOO]- 360.08505 190.4
[M+CH3COO]- 374.10070 194.9
[M+Na-2H]- 336.06152 179.5
[M]+ 315.08630 176.1
[M]- 315.08740 176.1
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