CID 2030886

3-[(4-methoxybenzyl)oxy]-7,8,9,10-tetrahydro-6h-benzo[c]chromen-6-one

Structural Information

Molecular Formula
C21H20O4
SMILES
COC1=CC=C(C=C1)COC2=CC3=C(C=C2)C4=C(CCCC4)C(=O)O3
InChI
InChI=1S/C21H20O4/c1-23-15-8-6-14(7-9-15)13-24-16-10-11-18-17-4-2-3-5-19(17)21(22)25-20(18)12-16/h6-12H,2-5,13H2,1H3
InChIKey
YFAIWWNUMQHALX-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 177.3
[M+Na]+ 359.12539 194.0
[M+NH4]+ 354.16999 186.7
[M+K]+ 375.09933 184.9
[M-H]- 335.12889 184.7
[M+Na-2H]- 357.11084 185.0
[M]+ 336.13562 182.1
[M]- 336.13672 182.1
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.