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

6851
Patents

372.19366 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20094 189.6
[M+Na]+ 395.18288 197.0
[M-H]- 371.18638 192.3
[M+NH4]+ 390.22748 201.0
[M+K]+ 411.15682 193.9
[M+H-H2O]+ 355.19092 182.9
[M+HCOO]- 417.19186 204.0
[M+CH3COO]- 431.20751 220.8
[M+Na-2H]- 393.16833 186.5
[M]+ 372.19311 195.4
[M]- 372.19421 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