CID 854113

7-[(4-methoxybenzyl)oxy]-6-methyl-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C21H20O4
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC4=CC=C(C=C4)OC
InChI
InChI=1S/C21H20O4/c1-13-19(24-12-14-6-8-15(23-2)9-7-14)11-10-17-16-4-3-5-18(16)21(22)25-20(13)17/h6-11H,3-5,12H2,1-2H3
InChIKey
ZEWOHZKPMUYUJB-UHFFFAOYSA-N
Compound name
7-[(4-methoxyphenyl)methoxy]-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13617 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 177.3
[M+Na]+ 359.12539 193.2
[M+NH4]+ 354.16999 186.4
[M+K]+ 375.09933 186.5
[M-H]- 335.12889 183.9
[M+Na-2H]- 357.11084 183.6
[M]+ 336.13562 181.6
[M]- 336.13672 181.6
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.