CID 513067

5-[4-(4,5-dihydrooxazol-2-yl)phenoxy]-1-phenyl-pentan-1-one

Structural Information

Molecular Formula
C20H21NO3
SMILES
C1COC(=N1)C2=CC=C(C=C2)OCCCCC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO3/c22-19(16-6-2-1-3-7-16)8-4-5-14-23-18-11-9-17(10-12-18)20-21-13-15-24-20/h1-3,6-7,9-12H,4-5,8,13-15H2
InChIKey
GFWUDWKDCTUEPC-UHFFFAOYSA-N
Compound name
5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-phenylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.159406 177.2
[M+Na]+ 346.141348 182.1
[M-H]- 322.144854 185.4
[M+NH4]+ 341.185953 189.4
[M+K]+ 362.115288 179.0
[M+H-H2O]+ 306.149390 167.5
[M+HCOO]- 368.150331 197.7
[M+CH3COO]- 382.165981 205.9
[M+Na-2H]- 344.126796 179.4
[M]+ 323.15158142 179.3
[M]- 323.15267858 179.3
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.