CID 513071

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

Structural Information

Molecular Formula
C20H20ClNO3
SMILES
C1COC(=N1)C2=CC=C(C=C2)OCCCCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H20ClNO3/c21-17-8-4-15(5-9-17)19(23)3-1-2-13-24-18-10-6-16(7-11-18)20-22-12-14-25-20/h4-11H,1-3,12-14H2
InChIKey
RQZNNUVOEUFJAH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11316 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12044 184.9
[M+Na]+ 380.10238 191.5
[M-H]- 356.10588 193.2
[M+NH4]+ 375.14698 196.9
[M+K]+ 396.07632 186.7
[M+H-H2O]+ 340.11042 175.7
[M+HCOO]- 402.11136 200.7
[M+CH3COO]- 416.12701 210.7
[M+Na-2H]- 378.08783 185.8
[M]+ 357.11261 189.7
[M]- 357.11371 189.7
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.