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]+ 324.15941 177.2
[M+Na]+ 346.14135 182.1
[M-H]- 322.14485 185.4
[M+NH4]+ 341.18595 189.4
[M+K]+ 362.11529 179.0
[M+H-H2O]+ 306.14939 167.5
[M+HCOO]- 368.15033 197.7
[M+CH3COO]- 382.16598 205.9
[M+Na-2H]- 344.12680 179.4
[M]+ 323.15158 179.3
[M]- 323.15268 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.