CID 95168

Osajin

Structural Information

Molecular Formula
C25H24O5
SMILES
CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
InChIKey
DCTLJGWMHPGCOS-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

45
References

3462
Patents

404.16238 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.16966 197.1
[M+Na]+ 427.15160 213.5
[M+NH4]+ 422.19620 205.4
[M+K]+ 443.12554 204.3
[M-H]- 403.15510 204.1
[M+Na-2H]- 425.13705 202.8
[M]+ 404.16183 201.9
[M]- 404.16293 201.9
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