CID 102444980

Kanzonol v

Structural Information

Molecular Formula
C24H24O4
SMILES
CC(=CCC1=C(C=C2C(=C1)C=C(O2)C3=C4C(=C(C=C3)O)C=CC(O4)(C)C)O)C
InChI
InChI=1S/C24H24O4/c1-14(2)5-6-15-11-16-12-22(27-21(16)13-20(15)26)18-7-8-19(25)17-9-10-24(3,4)28-23(17)18/h5,7-13,25-26H,6H2,1-4H3
InChIKey
AKOSXIFOBUWPLU-UHFFFAOYSA-N
Compound name
8-[6-hydroxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.16745 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17473 192.5
[M+Na]+ 399.15667 202.9
[M-H]- 375.16017 201.0
[M+NH4]+ 394.20127 207.1
[M+K]+ 415.13061 198.9
[M+H-H2O]+ 359.16471 185.7
[M+HCOO]- 421.16565 208.5
[M+CH3COO]- 435.18130 203.5
[M+Na-2H]- 397.14212 194.5
[M]+ 376.16690 198.0
[M]- 376.16800 198.0
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