CID 10469827

97846-18-9

Structural Information

Molecular Formula
C18H16O4
SMILES
CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H16O4/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11,19H,1-2H3
InChIKey
DEQMUPGWSXUDKV-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

296.10486 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 165.9
[M+Na]+ 319.09408 182.2
[M+NH4]+ 314.13868 174.1
[M+K]+ 335.06802 175.1
[M-H]- 295.09758 171.8
[M+Na-2H]- 317.07953 173.9
[M]+ 296.10431 170.1
[M]- 296.10541 170.1
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