CID 455808

Chembl338016

Structural Information

Molecular Formula
C24H30O7
SMILES
CCC(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(C)CC
InChI
InChI=1S/C24H30O7/c1-7-13(3)22(26)29-20-18-16(11-9-15-10-12-17(25)28-19(15)18)31-24(5,6)21(20)30-23(27)14(4)8-2/h9-14,20-21H,7-8H2,1-6H3
InChIKey
CAVRWRXTYNDIPD-UHFFFAOYSA-N
Compound name
[8,8-dimethyl-9-(2-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.19916 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.20644 201.1
[M+Na]+ 453.18838 207.3
[M-H]- 429.19188 207.2
[M+NH4]+ 448.23298 212.3
[M+K]+ 469.16232 208.6
[M+H-H2O]+ 413.19642 193.7
[M+HCOO]- 475.19736 212.9
[M+CH3COO]- 489.21301 233.3
[M+Na-2H]- 451.17383 201.2
[M]+ 430.19861 209.8
[M]- 430.19971 209.8
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

No patent data available for this compound.