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 177.0
[M+Na]+ 359.12539 184.8
[M-H]- 335.12889 185.8
[M+NH4]+ 354.16999 191.0
[M+K]+ 375.09933 181.5
[M+H-H2O]+ 319.13343 167.5
[M+HCOO]- 381.13437 195.4
[M+CH3COO]- 395.15002 188.1
[M+Na-2H]- 357.11084 183.2
[M]+ 336.13562 179.9
[M]- 336.13672 179.9
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.