CID 633619

Bannamurpanisin

Structural Information

Molecular Formula
C21H22O8
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC
InChI
InChI=1S/C21H22O8/c1-23-14-10-17(26-4)20(28-6)21-18(14)12(22)9-13(29-21)11-7-15(24-2)19(27-5)16(8-11)25-3/h7-10H,1-6H3
InChIKey
QLVJRZMVFHRFAV-UHFFFAOYSA-N
Compound name
5,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

402.13147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13875 190.8
[M+Na]+ 425.12069 201.8
[M-H]- 401.12419 200.7
[M+NH4]+ 420.16529 202.2
[M+K]+ 441.09463 202.4
[M+H-H2O]+ 385.12873 181.3
[M+HCOO]- 447.12967 212.8
[M+CH3COO]- 461.14532 227.1
[M+Na-2H]- 423.10614 193.9
[M]+ 402.13092 205.5
[M]- 402.13202 205.5
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