CID 54688887

4-hydroxy-3-[4-(2-methoxyphenyl)butyl]-2h-chromen-2-one

Structural Information

Molecular Formula
C20H20O4
SMILES
COC1=CC=CC=C1CCCCC2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C20H20O4/c1-23-17-12-6-3-9-14(17)8-2-4-11-16-19(21)15-10-5-7-13-18(15)24-20(16)22/h3,5-7,9-10,12-13,21H,2,4,8,11H2,1H3
InChIKey
AZROQTUSLXCBJK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[4-(2-methoxyphenyl)butyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

324.13617 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 175.7
[M+Na]+ 347.12539 184.4
[M-H]- 323.12889 183.0
[M+NH4]+ 342.16999 189.1
[M+K]+ 363.09933 180.7
[M+H-H2O]+ 307.13343 167.2
[M+HCOO]- 369.13437 196.3
[M+CH3COO]- 383.15002 207.6
[M+Na-2H]- 345.11084 181.1
[M]+ 324.13562 180.9
[M]- 324.13672 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe