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
2
Annotation Hits

3
References

21
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 166.3
[M+Na]+ 319.09408 175.5
[M-H]- 295.09758 174.1
[M+NH4]+ 314.13868 180.8
[M+K]+ 335.06802 172.8
[M+H-H2O]+ 279.10212 158.4
[M+HCOO]- 341.10306 186.5
[M+CH3COO]- 355.11871 202.6
[M+Na-2H]- 317.07953 171.6
[M]+ 296.10431 170.2
[M]- 296.10541 170.2
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.