CID 44257040

6,7-dihydroxy-5,4'-dimethoxy-flavylium

Structural Information

Molecular Formula
C17H17O5
SMILES
COC1=CC=C(C=C1)C2=[O+]C3=CC(C(=C(C3C=C2)OC)O)O
InChI
InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)14-8-7-12-15(22-14)9-13(18)16(19)17(12)21-2/h3-9,12-13,18H,1-2H3/p+1
InChIKey
XPZAWRNPMRAKDD-UHFFFAOYSA-O
Compound name
5-methoxy-2-(4-methoxyphenyl)-4a,7-dihydrochromen-1-ium-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.1076 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11488 169.9
[M+Na]+ 324.09682 178.4
[M-H]- 300.10032 176.6
[M+NH4]+ 319.14142 183.4
[M+K]+ 340.07076 170.5
[M+H-H2O]+ 284.10486 164.8
[M+HCOO]- 346.10580 188.1
[M+CH3COO]- 360.12145 193.9
[M+Na-2H]- 322.08227 177.2
[M]+ 301.10705 172.2
[M]- 301.10815 172.2
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

No patent data available for this compound.