CID 2894757

Ethyl [(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy](phenyl)acetate

Structural Information

Molecular Formula
C23H22O5
SMILES
CCOC(=O)C(C1=CC=CC=C1)OC2=C(C3=C(C=C2)C4=C(CCC4)C(=O)O3)C
InChI
InChI=1S/C23H22O5/c1-3-26-23(25)21(15-8-5-4-6-9-15)27-19-13-12-17-16-10-7-11-18(16)22(24)28-20(17)14(19)2/h4-6,8-9,12-13,21H,3,7,10-11H2,1-2H3
InChIKey
OJTFXIWFVGBRHM-UHFFFAOYSA-N
Compound name
ethyl 2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.14673 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 187.7
[M+Na]+ 401.13595 201.6
[M+NH4]+ 396.18055 195.3
[M+K]+ 417.10989 196.5
[M-H]- 377.13945 193.0
[M+Na-2H]- 399.12140 192.6
[M]+ 378.14618 191.2
[M]- 378.14728 191.2
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.