CID 44259767

Lmpk12112854

Structural Information

Molecular Formula
C22H24O8
SMILES
CC(C)(CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O)O
InChI
InChI=1S/C22H24O8/c1-22(2,27)8-7-11-9-12(5-6-13(11)23)19-21(29-4)18(26)16-15(30-19)10-14(24)20(28-3)17(16)25/h5-6,9-10,23-25,27H,7-8H2,1-4H3
InChIKey
AMAMGOYSZHKBTQ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.14713 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15441 197.5
[M+Na]+ 439.13635 206.3
[M-H]- 415.13985 201.9
[M+NH4]+ 434.18095 205.5
[M+K]+ 455.11029 204.6
[M+H-H2O]+ 399.14439 189.5
[M+HCOO]- 461.14533 211.3
[M+CH3COO]- 475.16098 222.5
[M+Na-2H]- 437.12180 199.6
[M]+ 416.14658 204.9
[M]- 416.14768 204.9
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.