CID 131753027

Kanzonol r

Structural Information

Molecular Formula
C22H26O5
SMILES
CC(=CCC1=C(C=CC(=C1O)C2CC3=C(C=C(C=C3OC)O)OC2)OC)C
InChI
InChI=1S/C22H26O5/c1-13(2)5-6-17-19(25-3)8-7-16(22(17)24)14-9-18-20(26-4)10-15(23)11-21(18)27-12-14/h5,7-8,10-11,14,23-24H,6,9,12H2,1-4H3
InChIKey
RRBCXJUMJUPDST-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-5-methoxy-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

370.178 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 189.9
[M+Na]+ 393.16722 196.5
[M-H]- 369.17072 195.4
[M+NH4]+ 388.21182 200.9
[M+K]+ 409.14116 193.4
[M+H-H2O]+ 353.17526 181.7
[M+HCOO]- 415.17620 204.4
[M+CH3COO]- 429.19185 217.1
[M+Na-2H]- 391.15267 189.5
[M]+ 370.17745 192.7
[M]- 370.17855 192.7
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

patents stripe