CID 5489487

Mammea b/ba

Structural Information

Molecular Formula
C22H28O5
SMILES
CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O
InChI
InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey
LYJWLIYDNZREPC-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

372.19366 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20094 190.3
[M+Na]+ 395.18288 201.7
[M+NH4]+ 390.22748 194.7
[M+K]+ 411.15682 197.0
[M-H]- 371.18638 191.1
[M+Na-2H]- 393.16833 190.5
[M]+ 372.19311 191.9
[M]- 372.19421 191.9
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