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]+ 337.143446 177.8
[M+Na]+ 359.125388 187.4
[M-H]- 335.128894 187.6
[M+NH4]+ 354.169993 194.3
[M+K]+ 375.099328 183.9
[M+H-H2O]+ 319.133430 170.1
[M+HCOO]- 381.134371 198.5
[M+CH3COO]- 395.150021 190.1
[M+Na-2H]- 357.110836 181.4
[M]+ 336.13562142 183.5
[M]- 336.13671858 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.