CID 5275309

10-hydroxy-8,9-dimethyl-5-(2-methyl-allyloxy)-4-propyl-9,10-dihydro-8h-pyrano[2,3-f]chromen-2-one

Structural Information

Molecular Formula
C21H26O5
SMILES
CCCC1=CC(=O)OC2=C3C([C@@H]([C@H](OC3=CC(=C12)OCC(=C)C)C)C)O
InChI
InChI=1S/C21H26O5/c1-6-7-14-8-17(22)26-21-18(14)15(24-10-11(2)3)9-16-19(21)20(23)12(4)13(5)25-16/h8-9,12-13,20,23H,2,6-7,10H2,1,3-5H3/t12-,13-,20?/m1/s1
InChIKey
YXRJJWDMMCYSLJ-QOOHGWKCSA-N
Compound name
(8R,9S)-10-hydroxy-8,9-dimethyl-5-(2-methylprop-2-enoxy)-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.178 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18528 186.1
[M+Na]+ 381.16722 194.9
[M-H]- 357.17072 191.8
[M+NH4]+ 376.21182 198.6
[M+K]+ 397.14116 193.0
[M+H-H2O]+ 341.17526 178.8
[M+HCOO]- 403.17620 199.9
[M+CH3COO]- 417.19185 220.0
[M+Na-2H]- 379.15267 187.4
[M]+ 358.17745 192.2
[M]- 358.17855 192.2
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.