CID 855007

7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4-dimethyl-2h-chromen-2-one

Structural Information

Molecular Formula
C20H18O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C20H18O5/c1-12-13(2)20(22)25-19-10-16(8-9-17(12)19)24-11-18(21)14-4-6-15(23-3)7-5-14/h4-10H,11H2,1-3H3
InChIKey
HLGTVVJDDWUDPG-UHFFFAOYSA-N
Compound name
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4-dimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 177.0
[M+Na]+ 361.10464 186.7
[M-H]- 337.10814 186.1
[M+NH4]+ 356.14924 190.5
[M+K]+ 377.07858 184.6
[M+H-H2O]+ 321.11268 168.3
[M+HCOO]- 383.11362 198.3
[M+CH3COO]- 397.12927 213.6
[M+Na-2H]- 359.09009 181.0
[M]+ 338.11487 184.5
[M]- 338.11597 184.5
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.