CID 146093

Gossypetin hexamethyl ether

Structural Information

Molecular Formula
C21H22O8
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC)OC
InChI
InChI=1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(25-3)10-15(26-4)19(27-5)20(16)29-18/h7-10H,1-6H3
InChIKey
XBZIUXVIWRAJKB-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

402.13147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13875 191.5
[M+Na]+ 425.12069 207.4
[M+NH4]+ 420.16529 197.2
[M+K]+ 441.09463 201.5
[M-H]- 401.12419 196.3
[M+Na-2H]- 423.10614 196.8
[M]+ 402.13092 195.3
[M]- 402.13202 195.3
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