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

3
Patents

370.178 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.185276 189.9
[M+Na]+ 393.167218 196.5
[M-H]- 369.170724 195.4
[M+NH4]+ 388.211823 200.9
[M+K]+ 409.141158 193.4
[M+H-H2O]+ 353.175260 181.7
[M+HCOO]- 415.176201 204.4
[M+CH3COO]- 429.191851 217.1
[M+Na-2H]- 391.152666 189.5
[M]+ 370.17745142 192.7
[M]- 370.17854858 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