CID 54688886

Hydroxycoumarin deriv. 17

Structural Information

Molecular Formula
C20H20O4
SMILES
COC1=CC=C(C=C1)CCCCC2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C20H20O4/c1-23-15-12-10-14(11-13-15)6-2-3-8-17-19(21)16-7-4-5-9-18(16)24-20(17)22/h4-5,7,9-13,21H,2-3,6,8H2,1H3
InChIKey
YCGODPLRLBRRLD-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[4-(4-methoxyphenyl)butyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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

No patent data available for this compound.