CID 513069

1-pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C21H23NO4
SMILES
COC1=CC=C(C=C1)C(=O)CCCCOC2=CC=C(C=C2)C3=NCCO3
InChI
InChI=1S/C21H23NO4/c1-24-18-9-5-16(6-10-18)20(23)4-2-3-14-25-19-11-7-17(8-12-19)21-22-13-15-26-21/h5-12H,2-4,13-15H2,1H3
InChIKey
KVISADAWQPXHGW-UHFFFAOYSA-N
Compound name
5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(4-methoxyphenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.6
[M+Na]+ 376.15194 189.8
[M-H]- 352.15544 193.1
[M+NH4]+ 371.19654 195.8
[M+K]+ 392.12588 187.2
[M+H-H2O]+ 336.15998 174.8
[M+HCOO]- 398.16092 205.0
[M+CH3COO]- 412.17657 212.1
[M+Na-2H]- 374.13739 185.7
[M]+ 353.16217 188.9
[M]- 353.16327 188.9
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.