CID 455809

[8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate

Structural Information

Molecular Formula
C24H26O7
SMILES
CC(=CC(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C=C(C)C)C
InChI
InChI=1S/C24H26O7/c1-13(2)11-18(26)29-22-20-16(9-7-15-8-10-17(25)28-21(15)20)31-24(5,6)23(22)30-19(27)12-14(3)4/h7-12,22-23H,1-6H3
InChIKey
UHWIZIJICYWABA-UHFFFAOYSA-N
Compound name
[8,8-dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

426.16785 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17513 198.0
[M+Na]+ 449.15707 204.9
[M-H]- 425.16057 204.2
[M+NH4]+ 444.20167 209.4
[M+K]+ 465.13101 205.0
[M+H-H2O]+ 409.16511 190.9
[M+HCOO]- 471.16605 210.3
[M+CH3COO]- 485.18170 230.8
[M+Na-2H]- 447.14252 198.3
[M]+ 426.16730 205.2
[M]- 426.16840 205.2
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

patents stripe