CID 44257309

3'-hydroxyalpinumisoflavone 4'-methyl ether

Structural Information

Molecular Formula
C21H18O6
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC(=C(C=C4)OC)O)C
InChI
InChI=1S/C21H18O6/c1-21(2)7-6-12-16(27-21)9-17-18(19(12)23)20(24)13(10-26-17)11-4-5-15(25-3)14(22)8-11/h4-10,22-23H,1-3H3
InChIKey
XEOFUBPZBRENSE-UHFFFAOYSA-N
Compound name
5-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

366.11035 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11763 184.9
[M+Na]+ 389.09957 196.4
[M-H]- 365.10307 193.7
[M+NH4]+ 384.14417 197.9
[M+K]+ 405.07351 194.7
[M+H-H2O]+ 349.10761 176.2
[M+HCOO]- 411.10855 200.8
[M+CH3COO]- 425.12420 196.4
[M+Na-2H]- 387.08502 191.1
[M]+ 366.10980 191.2
[M]- 366.11090 191.2
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

patents stripe