CID 2787145

Ethyl 2-(6-oxobenzo[c]chromen-3-yl)oxypropanoate

Structural Information

Molecular Formula
C18H16O5
SMILES
CCOC(=O)C(C)OC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2
InChI
InChI=1S/C18H16O5/c1-3-21-17(19)11(2)22-12-8-9-14-13-6-4-5-7-15(13)18(20)23-16(14)10-12/h4-11H,3H2,1-2H3
InChIKey
BGWRAFUTSSOCHA-UHFFFAOYSA-N
Compound name
ethyl 2-(6-oxobenzo[c]chromen-3-yl)oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.107036 168.3
[M+Na]+ 335.088978 177.8
[M-H]- 311.092484 175.0
[M+NH4]+ 330.133583 183.7
[M+K]+ 351.062918 176.3
[M+H-H2O]+ 295.097020 160.4
[M+HCOO]- 357.097961 189.1
[M+CH3COO]- 371.113611 207.0
[M+Na-2H]- 333.074426 175.3
[M]+ 312.09921142 176.3
[M]- 312.10030858 176.3
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.