CID 5319422

3'-methoxydaidzein

Structural Information

Molecular Formula
C16H12O5
SMILES
COC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O
InChI
InChI=1S/C16H12O5/c1-20-15-6-9(2-5-13(15)18)12-8-21-14-7-10(17)3-4-11(14)16(12)19/h2-8,17-18H,1H3
InChIKey
MUYAUELJBWQNDH-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

47
Patents

284.06848 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 160.2
[M+Na]+ 307.05770 170.9
[M-H]- 283.06120 167.4
[M+NH4]+ 302.10230 174.8
[M+K]+ 323.03164 168.1
[M+H-H2O]+ 267.06574 152.7
[M+HCOO]- 329.06668 180.8
[M+CH3COO]- 343.08233 197.0
[M+Na-2H]- 305.04315 166.8
[M]+ 284.06793 164.2
[M]- 284.06903 164.2
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