CID 3075255

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

Structural Information

Molecular Formula
C21H20O4
SMILES
CCC(C1=CC2=C(C=C1)OC(=C(C2=O)C)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C21H20O4/c1-4-16(21(23)24-3)15-10-11-18-17(12-15)19(22)13(2)20(25-18)14-8-6-5-7-9-14/h5-12,16H,4H2,1-3H3
InChIKey
FAOFIKNIMHCGOQ-UHFFFAOYSA-N
Compound name
methyl 2-(3-methyl-4-oxo-2-phenylchromen-6-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13617 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 178.9
[M+Na]+ 359.12539 187.2
[M-H]- 335.12889 187.6
[M+NH4]+ 354.16999 192.3
[M+K]+ 375.09933 184.7
[M+H-H2O]+ 319.13343 170.3
[M+HCOO]- 381.13437 198.7
[M+CH3COO]- 395.15002 213.4
[M+Na-2H]- 357.11084 181.8
[M]+ 336.13562 184.2
[M]- 336.13672 184.2
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.