CID 5270971

Schembl6630982

Structural Information

Molecular Formula
C20H26O5
SMILES
CCCC1=CC(=O)OC2=C(C(=C3CCC(OC3=C12)(C)C)O)C(CC)O
InChI
InChI=1S/C20H26O5/c1-5-7-11-10-14(22)24-19-15(11)18-12(8-9-20(3,4)25-18)17(23)16(19)13(21)6-2/h10,13,21,23H,5-9H2,1-4H3
InChIKey
VMUGCQJNDNXHOV-UHFFFAOYSA-N
Compound name
5-hydroxy-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

5
Patents

346.178 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18528 182.2
[M+Na]+ 369.16722 190.9
[M-H]- 345.17072 186.6
[M+NH4]+ 364.21182 196.4
[M+K]+ 385.14116 189.3
[M+H-H2O]+ 329.17526 175.7
[M+HCOO]- 391.17620 194.7
[M+CH3COO]- 405.19185 213.6
[M+Na-2H]- 367.15267 185.6
[M]+ 346.17745 186.9
[M]- 346.17855 186.9
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