CID 24720233

3'-methoxyisoflavone

Structural Information

Molecular Formula
C16H12O3
SMILES
COC1=CC=CC(=C1)C2=COC3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)14-10-19-15-8-3-2-7-13(15)16(14)17/h2-10H,1H3
InChIKey
JAMOLNJIPWEGGF-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

252.07864 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 153.2
[M+Na]+ 275.06786 163.4
[M-H]- 251.07136 162.3
[M+NH4]+ 270.11246 170.1
[M+K]+ 291.04180 160.7
[M+H-H2O]+ 235.07590 145.4
[M+HCOO]- 297.07684 176.6
[M+CH3COO]- 311.09249 167.1
[M+Na-2H]- 273.05331 161.9
[M]+ 252.07809 157.0
[M]- 252.07919 157.0
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