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]+ 295.13286 167.5
[M+Na]+ 317.11480 184.8
[M+NH4]+ 312.15940 176.2
[M+K]+ 333.08874 176.3
[M-H]- 293.11830 174.1
[M+Na-2H]- 315.10025 175.7
[M]+ 294.12503 172.2
[M]- 294.12613 172.2
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.