CID 5459223

4'-o-prenylalpinumisoflavone

Structural Information

Molecular Formula
C25H24O5
SMILES
CC(=CCOC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)C
InChI
InChI=1S/C25H24O5/c1-15(2)10-12-28-17-7-5-16(6-8-17)19-14-29-21-13-20-18(9-11-25(3,4)30-20)23(26)22(21)24(19)27/h5-11,13-14,26H,12H2,1-4H3
InChIKey
OHVOXMFXCZKNPR-UHFFFAOYSA-N
Compound name
5-hydroxy-2,2-dimethyl-7-[4-(3-methylbut-2-enoxy)phenyl]pyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

404.16238 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 198.9
[M+Na]+ 427.15160 208.4
[M-H]- 403.15510 207.9
[M+NH4]+ 422.19620 210.7
[M+K]+ 443.12554 205.8
[M+H-H2O]+ 387.15964 189.5
[M+HCOO]- 449.16058 214.0
[M+CH3COO]- 463.17623 225.2
[M+Na-2H]- 425.13705 202.7
[M]+ 404.16183 204.7
[M]- 404.16293 204.7
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