CID 13914993

Agehoustin d

Structural Information

Molecular Formula
C21H22O10
SMILES
COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O)OC
InChI
InChI=1S/C21H22O10/c1-25-12-7-9(16(26-2)15(24)17(12)27-3)11-8-10(22)13-14(23)19(28-4)21(30-6)20(29-5)18(13)31-11/h7-8,23-24H,1-6H3
InChIKey
NZPHQXJGYPDNMC-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(3-hydroxy-2,4,5-trimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12858 196.2
[M+Na]+ 457.11052 207.0
[M-H]- 433.11402 203.9
[M+NH4]+ 452.15512 205.0
[M+K]+ 473.08446 208.2
[M+H-H2O]+ 417.11856 186.9
[M+HCOO]- 479.11950 215.1
[M+CH3COO]- 493.13515 230.6
[M+Na-2H]- 455.09597 197.5
[M]+ 434.12075 210.9
[M]- 434.12185 210.9
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

No patent data available for this compound.