CID 11792417

Ephedroidin

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H18O6/c1-10(2)14(22)7-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)11-3-5-12(21)6-4-11/h3-6,8-9,14,21-24H,1,7H2,2H3
InChIKey
IMRKJXQBGHPNGG-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.11035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.117626 181.0
[M+Na]+ 377.099568 189.2
[M-H]- 353.103074 185.1
[M+NH4]+ 372.144173 191.1
[M+K]+ 393.073508 185.6
[M+H-H2O]+ 337.107610 173.6
[M+HCOO]- 399.108551 195.3
[M+CH3COO]- 413.124201 209.8
[M+Na-2H]- 375.085016 181.6
[M]+ 354.10980142 182.7
[M]- 354.11089858 182.7
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