CID 854487

9-(benzyloxy)-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C20H18O3
SMILES
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC4=CC=CC=C4
InChI
InChI=1S/C20H18O3/c1-13-10-17(22-12-14-6-3-2-4-7-14)19-15-8-5-9-16(15)20(21)23-18(19)11-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKey
JZYAVQVNTWJYBL-UHFFFAOYSA-N
Compound name
7-methyl-9-phenylmethoxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13286 169.8
[M+Na]+ 329.11480 179.3
[M-H]- 305.11830 179.5
[M+NH4]+ 324.15940 187.4
[M+K]+ 345.08874 175.2
[M+H-H2O]+ 289.12284 162.3
[M+HCOO]- 351.12378 190.8
[M+CH3COO]- 365.13943 182.5
[M+Na-2H]- 327.10025 174.5
[M]+ 306.12503 173.4
[M]- 306.12613 173.4
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.