CID 44257042

5-methyl-6-hydroxyluteolinidin

Structural Information

Molecular Formula
C16H15O6
SMILES
COC1=C(C(C=C2C1C=CC(=[O+]2)C3=CC(=C(C=C3)O)O)O)O
InChI
InChI=1S/C16H14O6/c1-21-16-9-3-5-13(8-2-4-10(17)11(18)6-8)22-14(9)7-12(19)15(16)20/h2-7,9,12,19H,1H3,(H2-,17,18,20)/p+1
InChIKey
BPBQZNORPLQIOS-UHFFFAOYSA-O
Compound name
2-(3,4-dihydroxyphenyl)-5-methoxy-4a,7-dihydrochromen-1-ium-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.08685 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09413 168.4
[M+Na]+ 326.07607 177.1
[M-H]- 302.07957 173.0
[M+NH4]+ 321.12067 180.6
[M+K]+ 342.05001 168.7
[M+H-H2O]+ 286.08411 164.0
[M+HCOO]- 348.08505 184.0
[M+CH3COO]- 362.10070 190.1
[M+Na-2H]- 324.06152 174.9
[M]+ 303.08630 168.8
[M]- 303.08740 168.8
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