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 189.3
[M+Na]+ 401.13595 196.4
[M-H]- 377.13945 198.4
[M+NH4]+ 396.18055 203.3
[M+K]+ 417.10989 193.8
[M+H-H2O]+ 361.14399 181.3
[M+HCOO]- 423.14493 207.5
[M+CH3COO]- 437.16058 219.5
[M+Na-2H]- 399.12140 190.4
[M]+ 378.14618 194.6
[M]- 378.14728 194.6
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.