CID 5271556

2-methoxy-6-methyl-6-(4-phenylphenyl)-2h-pyran-5-one

Structural Information

Molecular Formula
C19H18O3
SMILES
CC1(C(=O)C=CC(O1)OC)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18O3/c1-19(17(20)12-13-18(21-2)22-19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-13,18H,1-2H3
InChIKey
QUASWCNNVKNKNH-UHFFFAOYSA-N
Compound name
2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.12558 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 168.3
[M+Na]+ 317.11480 176.1
[M-H]- 293.11830 178.9
[M+NH4]+ 312.15940 184.0
[M+K]+ 333.08874 173.5
[M+H-H2O]+ 277.12284 159.5
[M+HCOO]- 339.12378 189.4
[M+CH3COO]- 353.13943 202.0
[M+Na-2H]- 315.10025 173.7
[M]+ 294.12503 169.2
[M]- 294.12613 169.2
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.