CID 95935

6345-73-9

Structural Information

Molecular Formula
C19H16O5
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H16O5/c1-2-22-19(21)18-11-16(20)15-9-8-14(10-17(15)24-18)23-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey
PSQHTAURXSIPJF-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-7-phenylmethoxychromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

324.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 172.8
[M+Na]+ 347.08898 181.3
[M-H]- 323.09248 181.4
[M+NH4]+ 342.13358 186.4
[M+K]+ 363.06292 179.2
[M+H-H2O]+ 307.09702 164.0
[M+HCOO]- 369.09796 194.6
[M+CH3COO]- 383.11361 207.5
[M+Na-2H]- 345.07443 178.8
[M]+ 324.09921 179.0
[M]- 324.10031 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe