CID 71436830

30390-12-6

Structural Information

Molecular Formula
C22H28O5
SMILES
CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)C(C)CC)O
InChI
InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3
InChIKey
PQMOXTJVIYEOQL-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-(2-methylbutanoyl)-8-(3-methylbut-2-enyl)-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6587
Patents

372.19366 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.200936 189.6
[M+Na]+ 395.182878 197.0
[M-H]- 371.186384 192.3
[M+NH4]+ 390.227483 201.0
[M+K]+ 411.156818 193.9
[M+H-H2O]+ 355.190920 182.9
[M+HCOO]- 417.191861 204.0
[M+CH3COO]- 431.207511 220.8
[M+Na-2H]- 393.168326 186.5
[M]+ 372.19311142 195.4
[M]- 372.19420858 195.4
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

patents stripe