CID 2894826

Ethyl [(6-oxo-6h-benzo[c]chromen-3-yl)oxy](phenyl)acetate

Structural Information

Molecular Formula
C23H18O5
SMILES
CCOC(=O)C(C1=CC=CC=C1)OC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C23H18O5/c1-2-26-23(25)21(15-8-4-3-5-9-15)27-16-12-13-18-17-10-6-7-11-19(17)22(24)28-20(18)14-16/h3-14,21H,2H2,1H3
InChIKey
SYJRVVKWGCMHPO-UHFFFAOYSA-N
Compound name
ethyl 2-(6-oxobenzo[c]chromen-3-yl)oxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12270 187.0
[M+Na]+ 397.10464 195.3
[M-H]- 373.10814 196.3
[M+NH4]+ 392.14924 199.0
[M+K]+ 413.07858 192.5
[M+H-H2O]+ 357.11268 177.0
[M+HCOO]- 419.11362 207.1
[M+CH3COO]- 433.12927 197.9
[M+Na-2H]- 395.09009 193.3
[M]+ 374.11487 193.6
[M]- 374.11597 193.6
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.