CID 54690932

4-hydroxy-7-methyl-3-(3-oxo-2-phenyl-butyl)chromen-2-one

Structural Information

Molecular Formula
C20H18O4
SMILES
CC1=CC2=C(C=C1)C(=C(C(=O)O2)CC(C3=CC=CC=C3)C(=O)C)O
InChI
InChI=1S/C20H18O4/c1-12-8-9-15-18(10-12)24-20(23)17(19(15)22)11-16(13(2)21)14-6-4-3-5-7-14/h3-10,16,22H,11H2,1-2H3
InChIKey
KIKVFZVFGQFYMQ-UHFFFAOYSA-N
Compound name
4-hydroxy-7-methyl-3-(3-oxo-2-phenylbutyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1205 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 174.2
[M+Na]+ 345.10972 182.5
[M-H]- 321.11322 181.7
[M+NH4]+ 340.15432 187.4
[M+K]+ 361.08366 179.4
[M+H-H2O]+ 305.11776 166.1
[M+HCOO]- 367.11870 192.9
[M+CH3COO]- 381.13435 208.8
[M+Na-2H]- 343.09517 177.3
[M]+ 322.11995 177.5
[M]- 322.12105 177.5
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.