CID 42607885

Spinoflavanone a

Structural Information

Molecular Formula
C25H24O4
SMILES
CC(=C)/C=C/C1=C(C2=C(C3=C1OC(C=C3)(C)C)O[C@@H](CC2=O)C4=CC=CC=C4)O
InChI
InChI=1S/C25H24O4/c1-15(2)10-11-17-22(27)21-19(26)14-20(16-8-6-5-7-9-16)28-24(21)18-12-13-25(3,4)29-23(17)18/h5-13,20,27H,1,14H2,2-4H3/b11-10+/t20-/m0/s1
InChIKey
VNAMEPIGUQHBIR-CFGKVWFZSA-N
Compound name
(2S)-5-hydroxy-8,8-dimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.16745 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17473 195.2
[M+Na]+ 411.15667 203.2
[M-H]- 387.16017 203.4
[M+NH4]+ 406.20127 207.4
[M+K]+ 427.13061 199.4
[M+H-H2O]+ 371.16471 186.3
[M+HCOO]- 433.16565 207.5
[M+CH3COO]- 447.18130 204.6
[M+Na-2H]- 409.14212 197.0
[M]+ 388.16690 196.1
[M]- 388.16800 196.1
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.