CID 102383790

Mammea b/bd

Structural Information

Molecular Formula
C21H26O5
SMILES
CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)C)O)CC=C(C)C)O
InChI
InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-16(13)19(24)14(9-8-11(2)3)20(25)17(21)18(23)12(4)5/h8,10,12,24-25H,6-7,9H2,1-5H3
InChIKey
FLFMHVIZGHIVEJ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.178 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18528 185.8
[M+Na]+ 381.16722 197.5
[M+NH4]+ 376.21182 190.4
[M+K]+ 397.14116 193.0
[M-H]- 357.17072 186.7
[M+Na-2H]- 379.15267 186.3
[M]+ 358.17745 187.5
[M]- 358.17855 187.5
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

No patent data available for this compound.