CID 90472431

30390-14-8

Structural Information

Molecular Formula
C22H28O6
SMILES
CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=C12)O)C(=O)CC(C)C)C(C)(C)O
InChI
InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-20-13-10-15(22(4,5)26)27-21(13)18(19(25)17(12)20)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
InChIKey
KYKWIMFWAYVDJI-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbutanoyl)-4-propyl-8,9-dihydrofuro[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.1886 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19588 193.6
[M+Na]+ 411.17782 201.1
[M-H]- 387.18132 198.0
[M+NH4]+ 406.22242 205.7
[M+K]+ 427.15176 199.9
[M+H-H2O]+ 371.18586 188.8
[M+HCOO]- 433.18680 205.4
[M+CH3COO]- 447.20245 222.4
[M+Na-2H]- 409.16327 193.6
[M]+ 388.18805 200.4
[M]- 388.18915 200.4
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