CID 131753028

Kanzonol n

Structural Information

Molecular Formula
C22H24O6
SMILES
CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C=C(C(=C3OC2)C=O)O)OC)O)C
InChI
InChI=1S/C22H24O6/c1-12(2)4-5-15-18(24)7-6-14(21(15)26)13-8-16-20(27-3)9-19(25)17(10-23)22(16)28-11-13/h4,6-7,9-10,13,24-26H,5,8,11H2,1-3H3
InChIKey
ANRYVYXUTFJPOR-UHFFFAOYSA-N
Compound name
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxy-5-methoxy-3,4-dihydro-2H-chromene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1573 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16458 191.6
[M+Na]+ 407.14652 198.6
[M-H]- 383.15002 196.1
[M+NH4]+ 402.19112 201.4
[M+K]+ 423.12046 195.1
[M+H-H2O]+ 367.15456 183.7
[M+HCOO]- 429.15550 204.8
[M+CH3COO]- 443.17115 218.1
[M+Na-2H]- 405.13197 190.3
[M]+ 384.15675 193.9
[M]- 384.15785 193.9
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

No patent data available for this compound.