CID 19972541

35888-94-9

Structural Information

Molecular Formula
C19H16O4
SMILES
CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3
InChI
InChI=1S/C19H16O4/c1-3-22-19(21)15-11-7-10-14-16(20)12(2)17(23-18(14)15)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3
InChIKey
NFRGNMIIGIZYDL-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

308.10486 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 169.6
[M+Na]+ 331.09408 179.2
[M-H]- 307.09758 178.7
[M+NH4]+ 326.13868 184.3
[M+K]+ 347.06802 176.6
[M+H-H2O]+ 291.10212 161.3
[M+HCOO]- 353.10306 191.2
[M+CH3COO]- 367.11871 206.6
[M+Na-2H]- 329.07953 174.8
[M]+ 308.10431 174.9
[M]- 308.10541 174.9
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