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

6
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 203.0
[M+Na]+ 445.19854 218.5
[M+NH4]+ 440.24314 214.4
[M+K]+ 461.17248 207.0
[M-H]- 421.20204 212.6
[M+Na-2H]- 443.18399 208.0
[M]+ 422.20877 208.7
[M]- 422.20987 208.7
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