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]+ 339.122696 177.0
[M+Na]+ 361.104638 186.7
[M-H]- 337.108144 186.1
[M+NH4]+ 356.149243 190.5
[M+K]+ 377.078578 184.6
[M+H-H2O]+ 321.112680 168.3
[M+HCOO]- 383.113621 198.3
[M+CH3COO]- 397.129271 213.6
[M+Na-2H]- 359.090086 181.0
[M]+ 338.11487142 184.5
[M]- 338.11596858 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.