CID 131751372

Kanzonol z

Structural Information

Molecular Formula
C25H26O5
SMILES
CC(=CCC1=C(C=CC(=C1)C2C(C(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)O)C
InChI
InChI=1S/C25H26O5/c1-14(2)5-6-15-13-16(7-9-19(15)26)23-22(28)21(27)18-8-10-20-17(24(18)29-23)11-12-25(3,4)30-20/h5,7-13,22-23,26,28H,6H2,1-4H3
InChIKey
IOXLCTZITMJUKD-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.178 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 198.5
[M+Na]+ 429.16722 213.0
[M+NH4]+ 424.21182 206.6
[M+K]+ 445.14116 204.2
[M-H]- 405.17072 204.9
[M+Na-2H]- 427.15267 202.4
[M]+ 406.17745 202.7
[M]- 406.17855 202.7
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.