CID 150893

1178-24-1

Structural Information

Molecular Formula
C22H24O9
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
InChIKey
SSXJHQZOHUYEGD-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

54
References

349
Patents

432.14203 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.14931 199.0
[M+Na]+ 455.13125 214.5
[M+NH4]+ 450.17585 203.9
[M+K]+ 471.10519 209.1
[M-H]- 431.13475 203.3
[M+Na-2H]- 453.11670 203.4
[M]+ 432.14148 202.6
[M]- 432.14258 202.6
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