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

literature stripe

Patent stripe

patents stripe