CID 54704412

4'-hydroxyphenprocoumon

Structural Information

Molecular Formula
C18H16O4
SMILES
CCC(C1=CC=C(C=C1)O)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C18H16O4/c1-2-13(11-7-9-12(19)10-8-11)16-17(20)14-5-3-4-6-15(14)22-18(16)21/h3-10,13,19-20H,2H2,1H3
InChIKey
ZPNYHQZRGWFLST-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

296.10486 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 166.6
[M+Na]+ 319.09408 182.4
[M+NH4]+ 314.13868 174.5
[M+K]+ 335.06802 175.6
[M-H]- 295.09758 172.0
[M+Na-2H]- 317.07953 173.9
[M]+ 296.10431 170.6
[M]- 296.10541 170.6
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