CID 5275308

5-but-2-enyloxy-10-hydroxy-8,9-dimethyl-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)OC/C=C/C)C)C)O
InChI
InChI=1S/C21H26O5/c1-5-7-9-24-15-11-16-19(20(23)12(3)13(4)25-16)21-18(15)14(8-6-2)10-17(22)26-21/h5,7,10-13,20,23H,6,8-9H2,1-4H3/b7-5+/t12-,13-,20?/m1/s1
InChIKey
WIPYKPZTDPXOHH-VQNVJYSSSA-N
Compound name
(8R,9S)-5-[(E)-but-2-enoxy]-10-hydroxy-8,9-dimethyl-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

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18528 186.5
[M+Na]+ 381.16722 195.6
[M-H]- 357.17072 192.1
[M+NH4]+ 376.21182 199.1
[M+K]+ 397.14116 193.2
[M+H-H2O]+ 341.17526 179.0
[M+HCOO]- 403.17620 201.3
[M+CH3COO]- 417.19185 218.4
[M+Na-2H]- 379.15267 188.9
[M]+ 358.17745 193.0
[M]- 358.17855 193.0
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.