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]+ 313.10704 168.3
[M+Na]+ 335.08898 177.8
[M-H]- 311.09248 175.0
[M+NH4]+ 330.13358 183.7
[M+K]+ 351.06292 176.3
[M+H-H2O]+ 295.09702 160.4
[M+HCOO]- 357.09796 189.1
[M+CH3COO]- 371.11361 207.0
[M+Na-2H]- 333.07443 175.3
[M]+ 312.09921 176.3
[M]- 312.10031 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.