CID 15491285

3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C22H22O8
SMILES
CC(=CCOC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)O)OC)C
InChI
InChI=1S/C22H22O8/c1-11(2)7-8-29-16-10-14(24)17-18(25)19(26)20(30-22(17)21(16)28-4)12-5-6-13(23)15(9-12)27-3/h5-7,9-10,23-24,26H,8H2,1-4H3
InChIKey
PCGBPGFXCMADGM-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-(3-methylbut-2-enoxy)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.13147 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13875 195.5
[M+Na]+ 437.12069 204.6
[M-H]- 413.12419 201.2
[M+NH4]+ 432.16529 204.2
[M+K]+ 453.09463 202.8
[M+H-H2O]+ 397.12873 186.9
[M+HCOO]- 459.12967 211.8
[M+CH3COO]- 473.14532 223.6
[M+Na-2H]- 435.10614 195.6
[M]+ 414.13092 203.8
[M]- 414.13202 203.8
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.