CID 131752862

Kanzonol j

Structural Information

Molecular Formula
C26H30O5
SMILES
CC1(CCC2=C(C3=C(C=C2O1)OCC(C3)C4=C5C(=C(C=C4)O)C=CC(O5)(C)C)OC)C
InChI
InChI=1S/C26H30O5/c1-25(2)11-9-18-22(30-25)13-21-19(23(18)28-5)12-15(14-29-21)16-6-7-20(27)17-8-10-26(3,4)31-24(16)17/h6-8,10,13,15,27H,9,11-12,14H2,1-5H3
InChIKey
POHNDGZXXXCXFF-UHFFFAOYSA-N
Compound name
8-(5-methoxy-2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-7-yl)-2,2-dimethylchromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

422.20932 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21660 204.3
[M+Na]+ 445.19854 212.5
[M-H]- 421.20204 213.7
[M+NH4]+ 440.24314 216.7
[M+K]+ 461.17248 211.7
[M+H-H2O]+ 405.20658 193.6
[M+HCOO]- 467.20752 212.2
[M+CH3COO]- 481.22317 213.1
[M+Na-2H]- 443.18399 208.1
[M]+ 422.20877 206.8
[M]- 422.20987 206.8
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.