CID 2894771

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

Structural Information

Molecular Formula
C22H20O5
SMILES
CCOC(=O)C(C1=CC=CC=C1)OC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3
InChI
InChI=1S/C22H20O5/c1-2-25-22(24)20(14-7-4-3-5-8-14)26-15-11-12-17-16-9-6-10-18(16)21(23)27-19(17)13-15/h3-5,7-8,11-13,20H,2,6,9-10H2,1H3
InChIKey
VWFLWZFTUPWDCU-UHFFFAOYSA-N
Compound name
ethyl 2-[(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

364.13107 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 184.5
[M+Na]+ 387.12029 191.2
[M-H]- 363.12379 193.4
[M+NH4]+ 382.16489 198.8
[M+K]+ 403.09423 188.7
[M+H-H2O]+ 347.12833 176.4
[M+HCOO]- 409.12927 203.1
[M+CH3COO]- 423.14492 215.3
[M+Na-2H]- 385.10574 186.8
[M]+ 364.13052 189.1
[M]- 364.13162 189.1
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.