CID 371314

Nsc645388

Structural Information

Molecular Formula
C21H20O5
SMILES
CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C21H20O5/c1-4-24-20(23)21(2,3)26-15-10-11-16-17(22)13-18(25-19(16)12-15)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3
InChIKey
AQXCUKCNPFDHAX-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-(4-oxo-2-phenylchromen-7-yl)oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

352.13107 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 182.0
[M+Na]+ 375.12029 189.9
[M-H]- 351.12379 190.5
[M+NH4]+ 370.16489 194.5
[M+K]+ 391.09423 188.1
[M+H-H2O]+ 335.12833 173.4
[M+HCOO]- 397.12927 201.4
[M+CH3COO]- 411.14492 213.8
[M+Na-2H]- 373.10574 187.9
[M]+ 352.13052 188.4
[M]- 352.13162 188.4
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

patents stripe