CID 3075258

Methyl 2-(3-methoxy-2-phenylchromon-6-yl)butanoate

Structural Information

Molecular Formula
C21H20O5
SMILES
CCC(C1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C21H20O5/c1-4-15(21(23)25-3)14-10-11-17-16(12-14)18(22)20(24-2)19(26-17)13-8-6-5-7-9-13/h5-12,15H,4H2,1-3H3
InChIKey
PWRMDMWFEOHPSK-UHFFFAOYSA-N
Compound name
methyl 2-(3-methoxy-4-oxo-2-phenylchromen-6-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 180.5
[M+Na]+ 375.12029 195.9
[M+NH4]+ 370.16489 187.6
[M+K]+ 391.09423 189.2
[M-H]- 351.12379 185.9
[M+Na-2H]- 373.10574 187.4
[M]+ 352.13052 184.4
[M]- 352.13162 184.4
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

No patent data available for this compound.