CID 131753029

Kanzonol m

Structural Information

Molecular Formula
C23H26O6
SMILES
CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C=C(C(=C3OC2)C=O)O)OC)OC)C
InChI
InChI=1S/C23H26O6/c1-13(2)5-6-16-20(27-3)8-7-15(22(16)26)14-9-17-21(28-4)10-19(25)18(11-24)23(17)29-12-14/h5,7-8,10-11,14,25-26H,6,9,12H2,1-4H3
InChIKey
KZQAGRHRFKIERV-UHFFFAOYSA-N
Compound name
7-hydroxy-3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-5-methoxy-3,4-dihydro-2H-chromene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.17294 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.18022 195.7
[M+Na]+ 421.16216 202.7
[M-H]- 397.16566 201.4
[M+NH4]+ 416.20676 205.6
[M+K]+ 437.13610 199.8
[M+H-H2O]+ 381.17020 187.3
[M+HCOO]- 443.17114 210.1
[M+CH3COO]- 457.18679 223.1
[M+Na-2H]- 419.14761 194.3
[M]+ 398.17239 200.0
[M]- 398.17349 200.0
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

No patent data available for this compound.