CID 15516846

Kanzonol e

Structural Information

Molecular Formula
C25H24O4
SMILES
CC(=CCC1=CC2=C(C=C1O)OC(=CC2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)C
InChI
InChI=1S/C25H24O4/c1-15(2)5-6-16-12-19-21(27)14-23(28-24(19)13-20(16)26)17-7-8-22-18(11-17)9-10-25(3,4)29-22/h5,7-14,26H,6H2,1-4H3
InChIKey
YQCBVKUBTQVHOT-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylchromen-6-yl)-7-hydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

388.16745 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17473 195.8
[M+Na]+ 411.15667 205.6
[M-H]- 387.16017 204.9
[M+NH4]+ 406.20127 208.4
[M+K]+ 427.13061 202.1
[M+H-H2O]+ 371.16471 186.6
[M+HCOO]- 433.16565 210.8
[M+CH3COO]- 447.18130 206.2
[M+Na-2H]- 409.14212 199.4
[M]+ 388.16690 200.2
[M]- 388.16800 200.2
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