CID 5270973

Schembl7102777

Structural Information

Molecular Formula
C22H30O6
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(CC)O)OCCO
InChI
InChI=1S/C22H30O6/c1-5-7-13-12-16(25)27-21-17(13)20-14(8-9-22(3,4)28-20)19(26-11-10-23)18(21)15(24)6-2/h12,15,23-24H,5-11H2,1-4H3
InChIKey
YWSPVLKLANITJN-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethoxy)-6-(1-hydroxypropyl)-2,2-dimethyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

390.20422 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21150 194.3
[M+Na]+ 413.19344 201.8
[M-H]- 389.19694 198.2
[M+NH4]+ 408.23804 206.5
[M+K]+ 429.16738 200.6
[M+H-H2O]+ 373.20148 187.1
[M+HCOO]- 435.20242 206.1
[M+CH3COO]- 449.21807 221.8
[M+Na-2H]- 411.17889 196.8
[M]+ 390.20367 201.1
[M]- 390.20477 201.1
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