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]+ 337.143446 177.0
[M+Na]+ 359.125388 184.8
[M-H]- 335.128894 185.8
[M+NH4]+ 354.169993 191.0
[M+K]+ 375.099328 181.5
[M+H-H2O]+ 319.133430 167.5
[M+HCOO]- 381.134371 195.4
[M+CH3COO]- 395.150021 188.1
[M+Na-2H]- 357.110836 183.2
[M]+ 336.13562142 179.9
[M]- 336.13671858 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.