CID 54676461

73791-08-9

Structural Information

Molecular Formula
C19H18O3
SMILES
CCC1=C(C(=CC=C1)CC)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H18O3/c1-3-12-8-7-9-13(4-2)16(12)17-18(20)14-10-5-6-11-15(14)22-19(17)21/h5-11,20H,3-4H2,1-2H3
InChIKey
QYOMYBJKLVZQEW-UHFFFAOYSA-N
Compound name
3-(2,6-diethylphenyl)-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12558 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.132856 167.8
[M+Na]+ 317.114798 178.1
[M-H]- 293.118304 175.8
[M+NH4]+ 312.159403 182.9
[M+K]+ 333.088738 174.0
[M+H-H2O]+ 277.122840 160.0
[M+HCOO]- 339.123781 188.5
[M+CH3COO]- 353.139431 203.7
[M+Na-2H]- 315.100246 173.0
[M]+ 294.12503142 171.7
[M]- 294.12612858 171.7
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.