CID 14237675

Millinol b

Structural Information

Molecular Formula
C21H24O4
SMILES
CC(C)(C=C)C1=C(C=C2C(=C1)CC(CO2)C3=C(C=C(C=C3)O)OC)O
InChI
InChI=1S/C21H24O4/c1-5-21(2,3)17-9-13-8-14(12-25-19(13)11-18(17)23)16-7-6-15(22)10-20(16)24-4/h5-7,9-11,14,22-23H,1,8,12H2,2-4H3
InChIKey
DKDWZBOVVLDHPS-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methoxyphenyl)-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16745 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17473 181.9
[M+Na]+ 363.15667 188.9
[M-H]- 339.16017 187.6
[M+NH4]+ 358.20127 194.2
[M+K]+ 379.13061 185.3
[M+H-H2O]+ 323.16471 174.6
[M+HCOO]- 385.16565 196.1
[M+CH3COO]- 399.18130 210.7
[M+Na-2H]- 361.14212 184.9
[M]+ 340.16690 182.9
[M]- 340.16800 182.9
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.