CID 44257508

4'-o-methylpreglabridin

Structural Information

Molecular Formula
C21H24O4
SMILES
CC(=CCC1=C(C=CC2=C1OCC(C2)C3=C(C=C(C=C3)OC)O)O)C
InChI
InChI=1S/C21H24O4/c1-13(2)4-7-18-19(22)9-5-14-10-15(12-25-21(14)18)17-8-6-16(24-3)11-20(17)23/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3
InChIKey
CFIGHBKJMKQTBW-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 182.4
[M+Na]+ 363.15667 188.8
[M-H]- 339.16017 187.8
[M+NH4]+ 358.20127 194.5
[M+K]+ 379.13061 185.0
[M+H-H2O]+ 323.16471 174.5
[M+HCOO]- 385.16565 197.2
[M+CH3COO]- 399.18130 210.5
[M+Na-2H]- 361.14212 183.1
[M]+ 340.16690 183.0
[M]- 340.16800 183.0
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