CID 102504551

30390-07-9

Structural Information

Molecular Formula
C21H26O6
SMILES
CCCC1=CC(=O)OC2=C1C(=C3CC(C(OC3=C2C(=O)CCC)(C)C)O)O
InChI
InChI=1S/C21H26O6/c1-5-7-11-9-15(24)26-20-16(11)18(25)12-10-14(23)21(3,4)27-19(12)17(20)13(22)8-6-2/h9,14,23,25H,5-8,10H2,1-4H3
InChIKey
JKOPHYFSGRCMOF-UHFFFAOYSA-N
Compound name
10-butanoyl-3,5-dihydroxy-2,2-dimethyl-6-propyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.17294 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18022 187.8
[M+Na]+ 397.16216 196.9
[M-H]- 373.16566 192.3
[M+NH4]+ 392.20676 200.8
[M+K]+ 413.13610 195.4
[M+H-H2O]+ 357.17020 181.1
[M+HCOO]- 419.17114 200.1
[M+CH3COO]- 433.18679 219.7
[M+Na-2H]- 395.14761 190.3
[M]+ 374.17239 194.0
[M]- 374.17349 194.0
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

No patent data available for this compound.