CID 386921

Nsc679902

Structural Information

Molecular Formula
C21H26O5
SMILES
CCCC1=CC(=O)OC2=C3C(=CC(=C12)OC(C)CC)O[C@@H]([C@H](C3=O)C)C
InChI
InChI=1S/C21H26O5/c1-6-8-14-9-17(22)26-21-18(14)15(24-11(3)7-2)10-16-19(21)20(23)12(4)13(5)25-16/h9-13H,6-8H2,1-5H3/t11?,12-,13-/m1/s1
InChIKey
RJOPGHHVMBNSND-VFRRUGBOSA-N
Compound name
(8R,9R)-5-butan-2-yloxy-8,9-dimethyl-4-propyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.178 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.185276 185.4
[M+Na]+ 381.167218 194.6
[M-H]- 357.170724 192.5
[M+NH4]+ 376.211823 198.6
[M+K]+ 397.141158 193.6
[M+H-H2O]+ 341.175260 177.8
[M+HCOO]- 403.176201 200.7
[M+CH3COO]- 417.191851 222.2
[M+Na-2H]- 379.152666 187.1
[M]+ 358.17745142 193.2
[M]- 358.17854858 193.2
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.