CID 15160703

Ponganone iv

Structural Information

Molecular Formula
C23H24O6
SMILES
CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)C[C@H](O3)C4=CC(=C(C=C4)OC)OC)C
InChI
InChI=1S/C23H24O6/c1-23(2)9-8-14-21-15(11-20(27-5)22(14)29-23)16(24)12-18(28-21)13-6-7-17(25-3)19(10-13)26-4/h6-11,18H,12H2,1-5H3/t18-/m0/s1
InChIKey
GEIXOHJDUNAJMC-SFHVURJKSA-N
Compound name
(2S)-2-(3,4-dimethoxyphenyl)-6-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1573 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 193.9
[M+Na]+ 419.14652 203.3
[M-H]- 395.15002 204.1
[M+NH4]+ 414.19112 206.8
[M+K]+ 435.12046 203.0
[M+H-H2O]+ 379.15456 184.4
[M+HCOO]- 441.15550 209.3
[M+CH3COO]- 455.17115 226.1
[M+Na-2H]- 417.13197 198.1
[M]+ 396.15675 201.3
[M]- 396.15785 201.3
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.