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 177.8
[M+Na]+ 359.12539 187.4
[M-H]- 335.12889 187.6
[M+NH4]+ 354.16999 194.3
[M+K]+ 375.09933 183.9
[M+H-H2O]+ 319.13343 170.1
[M+HCOO]- 381.13437 198.5
[M+CH3COO]- 395.15002 190.1
[M+Na-2H]- 357.11084 181.4
[M]+ 336.13562 183.5
[M]- 336.13672 183.5
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.