CID 404573

3-(4-methoxybenzyl)-5,7-dimethoxychroman-4-one

Structural Information

Molecular Formula
C19H20O5
SMILES
COC1=CC=C(C=C1)CC2COC3=C(C2=O)C(=CC(=C3)OC)OC
InChI
InChI=1S/C19H20O5/c1-21-14-6-4-12(5-7-14)8-13-11-24-17-10-15(22-2)9-16(23-3)18(17)19(13)20/h4-7,9-10,13H,8,11H2,1-3H3
InChIKey
JKMJUFLHBMBSQL-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

328.13107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 175.0
[M+Na]+ 351.12029 183.2
[M-H]- 327.12379 183.5
[M+NH4]+ 346.16489 189.0
[M+K]+ 367.09423 181.7
[M+H-H2O]+ 311.12833 166.4
[M+HCOO]- 373.12927 194.7
[M+CH3COO]- 387.14492 211.1
[M+Na-2H]- 349.10574 179.0
[M]+ 328.13052 180.7
[M]- 328.13162 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.