CID 15160702

Ponganone iii

Structural Information

Molecular Formula
C22H22O5
SMILES
CC1(C=CC2=C(O1)C=CC3=C2O[C@@H](CC3=O)C4=CC(=C(C=C4)OC)OC)C
InChI
InChI=1S/C22H22O5/c1-22(2)10-9-15-17(27-22)8-6-14-16(23)12-19(26-21(14)15)13-5-7-18(24-3)20(11-13)25-4/h5-11,19H,12H2,1-4H3/t19-/m0/s1
InChIKey
WBKMMUGBIOVPMR-IBGZPJMESA-N
Compound name
(2S)-2-(3,4-dimethoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

366.14673 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 186.5
[M+Na]+ 389.13595 195.8
[M-H]- 365.13945 196.6
[M+NH4]+ 384.18055 200.5
[M+K]+ 405.10989 194.7
[M+H-H2O]+ 349.14399 177.2
[M+HCOO]- 411.14493 202.2
[M+CH3COO]- 425.16058 197.7
[M+Na-2H]- 387.12140 191.6
[M]+ 366.14618 191.7
[M]- 366.14728 191.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.